1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine

C18H22FN — CID 105373859

IUPAC1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2cc(F)ccc2C)cc1C
InChIInChI=1S/C18H22FN/c1-12-4-6-15(8-14(12)3)9-18(20)11-16-10-17(19)7-5-13(16)2/h4-8,10,18H,9,11,20H2,1-3H3
InChIKeyJFSFNHSDUQISRR-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.86
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine

1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 105373859) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
PubChem CID105373859
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2cc(F)ccc2C)cc1C
InChIInChI=1S/C18H22FN/c1-12-4-6-15(8-14(12)3)9-18(20)11-16-10-17(19)7-5-13(16)2/h4-8,10,18H,9,11,20H2,1-3H3
InChIKeyJFSFNHSDUQISRR-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 105373754
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 105373847

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine (CID 105373859) is 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine is Cc1ccc(CC(N)Cc2cc(F)ccc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is JFSFNHSDUQISRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-4-6-15(8-14(12)3)9-18(20)11-16-10-17(19)7-5-13(16)2/h4-8,10,18H,9,11,20H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 105373859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).