1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine

C17H19ClFNO — CID 62600121

IUPAC1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-20-15(9-12-4-3-5-14(18)8-12)10-13-6-7-17(21-2)16(19)11-13/h3-8,11,15,20H,9-10H2,1-2H3
InChIKeyMNEYVIJTLFGTBX-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine

1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 62600121) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID62600121
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-20-15(9-12-4-3-5-14(18)8-12)10-13-6-7-17(21-2)16(19)11-13/h3-8,11,15,20H,9-10H2,1-2H3
InChIKeyMNEYVIJTLFGTBX-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142128
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 105122208
4-(2,2-difluoroethoxy)-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 103149423
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 60819659
(1R)-1-(3-chlorophenyl)-2-[[(2S)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol
CID 44522746
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
[1-(5-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105280097
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol;hydrobromide
CID 44522760

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine (CID 62600121) is 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(Cl)c1)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is MNEYVIJTLFGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-20-15(9-12-4-3-5-14(18)8-12)10-13-6-7-17(21-2)16(19)11-13/h3-8,11,15,20H,9-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine?
1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 62600121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).