2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine

C17H20FN — CID 64769920

IUPAC2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(N)C(C)(C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN/c1-12-5-4-6-13(11-12)16(19)17(2,3)14-7-9-15(18)10-8-14/h4-11,16H,19H2,1-3H3
InChIKeyKAAWZHUUYPWLEH-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine

2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine (PubChem CID 64769920) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine
PubChem CID64769920
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(N)C(C)(C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN/c1-12-5-4-6-13(11-12)16(19)17(2,3)14-7-9-15(18)10-8-14/h4-11,16H,19H2,1-3H3
InChIKeyKAAWZHUUYPWLEH-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64770314
1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64768356
2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 64770702
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-amine
CID 64770505
1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine (CID 64769920) is 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine is Cc1cccc(C(N)C(C)(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine?
The InChIKey is KAAWZHUUYPWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-5-4-6-13(11-12)16(19)17(2,3)14-7-9-15(18)10-8-14/h4-11,16H,19H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine?
2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 64769920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).