(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine

C10H12FNO — CID 175402532

IUPAC(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
SMILESCN[C@H]1OCCc2cccc(F)c21
InChIInChI=1S/C10H12FNO/c1-12-10-9-7(5-6-13-10)3-2-4-8(9)11/h2-4,10,12H,5-6H2,1H3/t10-/m0/s1
InChIKeyMPLNHMVOODKGNX-JTQLQIEISA-N
MW181.21 g/mol
LogP1.62
Rot. Bonds1

About (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine

(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine (PubChem CID 175402532) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine.

Molecular Properties

Compound Name(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
PubChem CID175402532
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
SMILESCN[C@H]1OCCc2cccc(F)c21
InChIInChI=1S/C10H12FNO/c1-12-10-9-7(5-6-13-10)3-2-4-8(9)11/h2-4,10,12H,5-6H2,1H3/t10-/m0/s1
InChIKeyMPLNHMVOODKGNX-JTQLQIEISA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-ethyl-8-fluoro-3,4-dihydro-1H-isochromene
CID 134211158
[[(1R)-8-fluoro-3,4-dihydro-1H-isochromen-1-yl]methylamino]methanetriol
CID 165409751
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
1-(8-fluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine;pentanedioic acid
CID 155101041
(1R)-1-(8-fluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine;pentanedioic acid
CID 175609770
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105460924
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216
1-[(3S)-9-fluoro-3-propan-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409740
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 66875826

Frequently Asked Questions

What is the IUPAC name of (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The IUPAC name of (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine (CID 175402532) is (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine.
What is the SMILES notation for (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The canonical SMILES for (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine is CN[C@H]1OCCc2cccc(F)c21.
What is the InChIKey of (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The InChIKey is MPLNHMVOODKGNX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-10-9-7(5-6-13-10)3-2-4-8(9)11/h2-4,10,12H,5-6H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine has a molecular weight of 181.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine is sourced from PubChem (CID 175402532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).