1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine

C18H22FN — CID 114833802

IUPAC1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCc1ccc(CC(C)(N)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H22FN/c1-13-4-5-16(10-14(13)2)12-18(3,20)11-15-6-8-17(19)9-7-15/h4-10H,11-12,20H2,1-3H3
InChIKeyOWEQOPOBHQLLMB-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.95
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114833802) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114833802
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCc1ccc(CC(C)(N)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H22FN/c1-13-4-5-16(10-14(13)2)12-18(3,20)11-15-6-8-17(19)9-7-15/h4-10H,11-12,20H2,1-3H3
InChIKeyOWEQOPOBHQLLMB-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (CID 114833802) is 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is Cc1ccc(CC(C)(N)Cc2ccc(F)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is OWEQOPOBHQLLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-4-5-16(10-14(13)2)12-18(3,20)11-15-6-8-17(19)9-7-15/h4-10H,11-12,20H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.95, 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-(4-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114833802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).