(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine

C17H20FN — CID 81347759

IUPAC(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc(C(C)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN/c1-12-5-4-6-16(11-12)14(3)19-13(2)15-7-9-17(18)10-8-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyWHGXRPXZVNLWJI-LSLKUGRBSA-N
MW257.35 g/mol
LogP4.55
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine (PubChem CID 81347759) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
PubChem CID81347759
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc(C(C)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN/c1-12-5-4-6-16(11-12)14(3)19-13(2)15-7-9-17(18)10-8-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyWHGXRPXZVNLWJI-LSLKUGRBSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81367068
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine (CID 81347759) is (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine is Cc1cccc(C(C)N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is WHGXRPXZVNLWJI-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-5-4-6-16(11-12)14(3)19-13(2)15-7-9-17(18)10-8-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).