1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine

C18H22FN — CID 104979728

IUPAC1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc([C@H](C)NC(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-13-7-9-17(10-8-13)15(3)20-14(2)11-16-5-4-6-18(19)12-16/h4-10,12,14-15,20H,11H2,1-3H3/t14?,15-/m0/s1
InChIKeyFMHJCSKZUWFRLU-LOACHALJSA-N
MW271.38 g/mol
LogP4.42
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine

1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine (PubChem CID 104979728) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
PubChem CID104979728
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc([C@H](C)NC(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-13-7-9-17(10-8-13)15(3)20-14(2)11-16-5-4-6-18(19)12-16/h4-10,12,14-15,20H,11H2,1-3H3/t14?,15-/m0/s1
InChIKeyFMHJCSKZUWFRLU-LOACHALJSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine 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

1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine (CID 104979728) is 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine is Cc1ccc([C@H](C)NC(C)Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?
The InChIKey is FMHJCSKZUWFRLU-LOACHALJSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-7-9-17(10-8-13)15(3)20-14(2)11-16-5-4-6-18(19)12-16/h4-10,12,14-15,20H,11H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 104979728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).