2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine

C19H25N — CID 63522869

IUPAC2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H25N/c1-4-19(14-20,18-8-6-5-7-9-18)13-17-12-15(2)10-11-16(17)3/h5-12H,4,13-14,20H2,1-3H3
InChIKeyASTQWLWGKITJCQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.15
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine

2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine (PubChem CID 63522869) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine
PubChem CID63522869
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H25N/c1-4-19(14-20,18-8-6-5-7-9-18)13-17-12-15(2)10-11-16(17)3/h5-12H,4,13-14,20H2,1-3H3
InChIKeyASTQWLWGKITJCQ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79455964
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79447240
1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine
CID 61481647
2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
CID 55106632
2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444429
2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
CID 65327261
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)propan-2-amine
CID 61482079
1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
CID 105373090
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
(E)-2-ethyl-2-phenylhex-4-en-1-amine
CID 134877225

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine (CID 63522869) is 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine?
The InChIKey is ASTQWLWGKITJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-19(14-20,18-8-6-5-7-9-18)13-17-12-15(2)10-11-16(17)3/h5-12H,4,13-14,20H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 63522869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).