2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine

C18H23N — CID 55106632

IUPAC2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-3-18(14-19,17-7-5-4-6-8-17)13-16-11-9-15(2)10-12-16/h4-12H,3,13-14,19H2,1-2H3
InChIKeyYAGHKUCFAPKHBA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.84
Rot. Bonds5

About 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine

2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine (PubChem CID 55106632) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
PubChem CID55106632
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-3-18(14-19,17-7-5-4-6-8-17)13-16-11-9-15(2)10-12-16/h4-12H,3,13-14,19H2,1-2H3
InChIKeyYAGHKUCFAPKHBA-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine (CID 55106632) is 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine?
The InChIKey is YAGHKUCFAPKHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-18(14-19,17-7-5-4-6-8-17)13-16-11-9-15(2)10-12-16/h4-12H,3,13-14,19H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine?
2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 55106632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).