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

C18H22FN — CID 64768356

IUPAC1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCc1cccc(C(N)C(C)(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C18H22FN/c1-12-6-5-7-16(13(12)2)17(20)18(3,4)14-8-10-15(19)11-9-14/h5-11,17H,20H2,1-4H3
InChIKeyMDPGMLLZVFVAFW-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.42
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 64768356) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID64768356
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCc1cccc(C(N)C(C)(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C18H22FN/c1-12-6-5-7-16(13(12)2)17(20)18(3,4)14-8-10-15(19)11-9-14/h5-11,17H,20H2,1-4H3
InChIKeyMDPGMLLZVFVAFW-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (CID 64768356) is 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is Cc1cccc(C(N)C(C)(C)c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is MDPGMLLZVFVAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-6-5-7-16(13(12)2)17(20)18(3,4)14-8-10-15(19)11-9-14/h5-11,17H,20H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64768356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).