N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine

C19H25N — CID 60657519

IUPACN-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
SMILESCc1ccc(C)c(CNC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15-9-10-16(2)19(13-15)14-20-17(3)11-12-18-7-5-4-6-8-18/h4-10,13,17,20H,11-12,14H2,1-3H3
InChIKeyFJAMMFZSNZOLMU-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.41
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine

N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 60657519) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
PubChem CID60657519
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
SMILESCc1ccc(C)c(CNC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15-9-10-16(2)19(13-15)14-20-17(3)11-12-18-7-5-4-6-8-18/h4-10,13,17,20H,11-12,14H2,1-3H3
InChIKeyFJAMMFZSNZOLMU-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
3-methyl-4-[(4-phenylbutan-2-ylamino)methyl]benzonitrile
CID 114480136
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine (CID 60657519) is N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine is Cc1ccc(C)c(CNC(C)CCc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is FJAMMFZSNZOLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-9-10-16(2)19(13-15)14-20-17(3)11-12-18-7-5-4-6-8-18/h4-10,13,17,20H,11-12,14H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine?
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 60657519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).