1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile

C136H163F6N17O15 — CID 158953675

IUPAC1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile
SMILESCCC[C@@H]1OCCCc2cccc(F)c21.CNC[C@@H]1OCCc2c(C#N)cccc21.CNC[C@@H]1OCCc2cccc(C#N)c21.CNC[C@@H]1OC[C@@H](O)c2cccc(F)c21.CNC[C@@H]1OC[C@H](O)c2cccc(F)c21.CNC[C@@H]1OCc2c(C#N)cccc21.CNC[C@@H]1OCc2cccc(F)c21.CNC[C@H]1OCCc2c(C#N)cccc21.CNC[C@H]1OCCc2cccc(C#N)c21.CNC[C@H]1OC[C@H](O)c2cccc(F)c21.CNC[C@H]1OCc2c(C#N)cccc21.CNC[C@H]1OCc2cccc(F)c21
InChIInChI=1S/C13H17FO.4C12H14N2O.3C11H14FNO2.2C11H12N2O.2C10H12FNO/c1-2-5-12-13-10(7-4-9-15-12)6-3-8-11(13)14;2*1-14-8-12-11-4-2-3-9(7-13)10(11)5-6-15-12;2*1-14-8-11-12-9(5-6-15-11)3-2-4-10(12)7-13;3*1-13-5-10-11-7(9(14)6-15-10)3-2-4-8(11)12;2*1-13-6-11-9-4-2-3-8(5-12)10(9)7-14-11;2*1-12-5-9-10-7(6-13-9)3-2-4-8(10)11/h3,6,8,12H,2,4-5,7,9H2,1H3;2*2-4,12,14H,5-6,8H2,1H3;2*2-4,11,14H,5-6,8H2,1H3;3*2-4,9-10,13-14H,5-6H2,1H3;2*2-4,11,13H,6-7H2,1H3;2*2-4,9,12H,5-6H2,1H3/t3*12-;2*11-;2*9-,10+;9-,10-;2*11-;2*9-/m010101001010/s1
InChIKeyJLSXEDXZQRFCBJ-NENKCDLRSA-N
MW2389.89 g/mol
LogP18.58
Rot. Bonds24

About 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile

1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile (PubChem CID 158953675) has the molecular formula C136H163F6N17O15 and a molecular weight of 2389.89 g/mol. Its IUPAC name is 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile.

Molecular Properties

Compound Name1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile
PubChem CID158953675
Molecular FormulaC136H163F6N17O15
Molecular Weight2389.89 g/mol
Exact Mass2388.24
IUPAC Name1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile
SMILESCCC[C@@H]1OCCCc2cccc(F)c21.CNC[C@@H]1OCCc2c(C#N)cccc21.CNC[C@@H]1OCCc2cccc(C#N)c21.CNC[C@@H]1OC[C@@H](O)c2cccc(F)c21.CNC[C@@H]1OC[C@H](O)c2cccc(F)c21.CNC[C@@H]1OCc2c(C#N)cccc21.CNC[C@@H]1OCc2cccc(F)c21.CNC[C@H]1OCCc2c(C#N)cccc21.CNC[C@H]1OCCc2cccc(C#N)c21.CNC[C@H]1OC[C@H](O)c2cccc(F)c21.CNC[C@H]1OCc2c(C#N)cccc21.CNC[C@H]1OCc2cccc(F)c21
InChIInChI=1S/C13H17FO.4C12H14N2O.3C11H14FNO2.2C11H12N2O.2C10H12FNO/c1-2-5-12-13-10(7-4-9-15-12)6-3-8-11(13)14;2*1-14-8-12-11-4-2-3-9(7-13)10(11)5-6-15-12;2*1-14-8-11-12-9(5-6-15-11)3-2-4-10(12)7-13;3*1-13-5-10-11-7(9(14)6-15-10)3-2-4-8(11)12;2*1-13-6-11-9-4-2-3-8(5-12)10(9)7-14-11;2*1-12-5-9-10-7(6-13-9)3-2-4-8(10)11/h3,6,8,12H,2,4-5,7,9H2,1H3;2*2-4,12,14H,5-6,8H2,1H3;2*2-4,11,14H,5-6,8H2,1H3;3*2-4,9-10,13-14H,5-6H2,1H3;2*2-4,11,13H,6-7H2,1H3;2*2-4,9,12H,5-6H2,1H3/t3*12-;2*11-;2*9-,10+;9-,10-;2*11-;2*9-/m010101001010/s1
InChIKeyJLSXEDXZQRFCBJ-NENKCDLRSA-N
XLogP18.58
TPSA446.52 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.89
LogP ≤ 518.58
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile?
The IUPAC name of 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile (CID 158953675) is 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile.
What is the SMILES notation for 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile?
The canonical SMILES for 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile is CCC[C@@H]1OCCCc2cccc(F)c21.CNC[C@@H]1OCCc2c(C#N)cccc21.CNC[C@@H]1OCCc2cccc(C#N)c21.CNC[C@@H]1OC[C@@H](O)c2cccc(F)c21.CNC[C@@H]1OC[C@H](O)c2cccc(F)c21.CNC[C@@H]1OCc2c(C#N)cccc21.CNC[C@@H]1OCc2cccc(F)c21.CNC[C@H]1OCCc2c(C#N)cccc21.CNC[C@H]1OCCc2cccc(C#N)c21.CNC[C@H]1OC[C@H](O)c2cccc(F)c21.CNC[C@H]1OCc2c(C#N)cccc21.CNC[C@H]1OCc2cccc(F)c21.
What is the InChIKey of 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile?
The InChIKey is JLSXEDXZQRFCBJ-NENKCDLRSA-N. The full InChI is InChI=1S/C13H17FO.4C12H14N2O.3C11H14FNO2.2C11H12N2O.2C10H12FNO/c1-2-5-12-13-10(7-4-9-15-12)6-3-8-11(13)14;2*1-14-8-12-11-4-2-3-9(7-13)10(11)5-6-15-12;2*1-14-8-11-12-9(5-6-15-11)3-2-4-10(12)7-13;3*1-13-5-10-11-7(9(14)6-15-10)3-2-4-8(11)12;2*1-13-6-11-9-4-2-3-8(5-12)10(9)7-14-11;2*1-12-5-9-10-7(6-13-9)3-2-4-8(10)11/h3,6,8,12H,2,4-5,7,9H2,1H3;2*2-4,12,14H,5-6,8H2,1H3;2*2-4,11,14H,5-6,8H2,1H3;3*2-4,9-10,13-14H,5-6H2,1H3;2*2-4,11,13H,6-7H2,1H3;2*2-4,9,12H,5-6H2,1H3/t3*12-;2*11-;2*9-,10+;9-,10-;2*11-;2*9-/m010101001010/s1.
What are the key properties of 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile?
1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile has a molecular weight of 2389.89 g/mol, XLogP of 18.58, 24 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;1-[(1R)-7-fluoro-1,3-dihydro-2-benzofuran-1-yl]-N-methylmethanamine;(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S)-9-fluoro-1-propyl-1,3,4,5-tetrahydro-2-benzoxepine;(1S)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-1,3-dihydro-2-benzofuran-4-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5-carbonitrile;(1R)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile;(1S)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-8-carbonitrile is sourced from PubChem (CID 158953675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).