3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine

C18H22FN — CID 82140480

IUPAC3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(CN)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H22FN/c1-12-7-13(2)18(14(3)8-12)16(11-20)9-15-5-4-6-17(19)10-15/h4-8,10,16H,9,11,20H2,1-3H3
InChIKeyPPQGSDHUAAZKSA-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.04
Rot. Bonds4

About 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine

3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 82140480) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID82140480
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(CN)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H22FN/c1-12-7-13(2)18(14(3)8-12)16(11-20)9-15-5-4-6-17(19)10-15/h4-8,10,16H,9,11,20H2,1-3H3
InChIKeyPPQGSDHUAAZKSA-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-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

3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine
CID 84721552
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine (CID 82140480) is 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C(CN)Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is PPQGSDHUAAZKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-7-13(2)18(14(3)8-12)16(11-20)9-15-5-4-6-17(19)10-15/h4-8,10,16H,9,11,20H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine?
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 82140480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).