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

C18H22FN — CID 64769730

IUPAC3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
SMILESCc1ccccc1CC(N)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-13-6-4-5-7-14(13)12-17(20)18(2,3)15-8-10-16(19)11-9-15/h4-11,17H,12,20H2,1-3H3
InChIKeyPNVPKMZJTMBIDR-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.98
Rot. Bonds4

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

3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine (PubChem CID 64769730) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
PubChem CID64769730
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
SMILESCc1ccccc1CC(N)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-13-6-4-5-7-14(13)12-17(20)18(2,3)15-8-10-16(19)11-9-15/h4-11,17H,12,20H2,1-3H3
InChIKeyPNVPKMZJTMBIDR-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64768356
1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64904886
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine (CID 64769730) is 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine is Cc1ccccc1CC(N)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine?
The InChIKey is PNVPKMZJTMBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-6-4-5-7-14(13)12-17(20)18(2,3)15-8-10-16(19)11-9-15/h4-11,17H,12,20H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine?
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 64769730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).