N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine

C19H25N — CID 63462083

IUPACN-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
SMILESCc1ccc(CNCCC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25N/c1-15-9-10-19(17(3)13-15)14-20-12-11-16(2)18-7-5-4-6-8-18/h4-10,13,16,20H,11-12,14H2,1-3H3
InChIKeyHADJXGMXKIUIGJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.59
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine

N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine (PubChem CID 63462083) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
PubChem CID63462083
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
SMILESCc1ccc(CNCCC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25N/c1-15-9-10-19(17(3)13-15)14-20-12-11-16(2)18-7-5-4-6-8-18/h4-10,13,16,20H,11-12,14H2,1-3H3
InChIKeyHADJXGMXKIUIGJ-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
N-[(2-chloro-4-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 63490378
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine (CID 63462083) is N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine is Cc1ccc(CNCCC(C)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine?
The InChIKey is HADJXGMXKIUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-9-10-19(17(3)13-15)14-20-12-11-16(2)18-7-5-4-6-8-18/h4-10,13,16,20H,11-12,14H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine?
N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 63462083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).