1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

C19H22FNO — CID 68912801

IUPAC1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)C1(c2ccc(F)cc2)OCc2ccccc21
InChIInChI=1S/C19H22FNO/c1-4-18(21(2)3)19(15-9-11-16(20)12-10-15)17-8-6-5-7-14(17)13-22-19/h5-12,18H,4,13H2,1-3H3
InChIKeyIIQPMVHWUYOSRF-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.94
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 68912801) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID68912801
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)C1(c2ccc(F)cc2)OCc2ccccc21
InChIInChI=1S/C19H22FNO/c1-4-18(21(2)3)19(15-9-11-16(20)12-10-15)17-8-6-5-7-14(17)13-22-19/h5-12,18H,4,13H2,1-3H3
InChIKeyIIQPMVHWUYOSRF-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(2S,4S,6R)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
CID 44326705
Pyrrolidine, 1-(2-(1,1-bis(4-fluorophenyl)ethoxy)ethyl)-, hydrochloride
CID 3024531
N,N-dimethyl-1-[(2S,4R,6R)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
CID 9839050
N,N-dimethyl-1-[(2S,6R)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
CID 44326319
1-(2-fluoroethyl)-1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 53325575
3-(1-(4-Fluorophenyl)-5-iodo-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 11339285
N,N-dimethyl-1-[(2R,4S,6S)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
CID 44326690
N,N-dimethyl-1-[(2S,6S)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
CID 44326298
1-(3-fluoropropyl)-1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44474779
3-(1-(4-Fluorophenyl)-5-phenyl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46913907
rac-(E)-3-(1-(4-Fluorophenyl)-5-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914046
3-(1-(4-Fluorophenyl)-5-phenethyl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914051

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (CID 68912801) is 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is CCC(N(C)C)C1(c2ccc(F)cc2)OCc2ccccc21.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is IIQPMVHWUYOSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-4-18(21(2)3)19(15-9-11-16(20)12-10-15)17-8-6-5-7-14(17)13-22-19/h5-12,18H,4,13H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 299.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 68912801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).