2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine

C18H22FN — CID 62529396

IUPAC2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2cccc(F)c2)cc1C
InChIInChI=1S/C18H22FN/c1-13-6-7-16(8-14(13)2)10-17(12-20)9-15-4-3-5-18(19)11-15/h3-8,11,17H,9-10,12,20H2,1-2H3
InChIKeyLSLIKGPBQJBQJW-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.80
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine

2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (PubChem CID 62529396) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
PubChem CID62529396
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2cccc(F)c2)cc1C
InChIInChI=1S/C18H22FN/c1-13-6-7-16(8-14(13)2)10-17(12-20)9-15-4-3-5-18(19)11-15/h3-8,11,17H,9-10,12,20H2,1-2H3
InChIKeyLSLIKGPBQJBQJW-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
2-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376010
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 66041066
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 64779066
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82140480
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (CID 62529396) is 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is Cc1ccc(CC(CN)Cc2cccc(F)c2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is LSLIKGPBQJBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-6-7-16(8-14(13)2)10-17(12-20)9-15-4-3-5-18(19)11-15/h3-8,11,17H,9-10,12,20H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62529396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).