2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine

C19H25N — CID 79007492

IUPAC2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H25N/c1-4-19(20,13-17-8-6-5-7-9-17)14-18-11-10-15(2)16(3)12-18/h5-12H,4,13-14,20H2,1-3H3
InChIKeyVDOLLOGRGUYBEU-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.20
Rot. Bonds5

About 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine

2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine (PubChem CID 79007492) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
PubChem CID79007492
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H25N/c1-4-19(20,13-17-8-6-5-7-9-17)14-18-11-10-15(2)16(3)12-18/h5-12H,4,13-14,20H2,1-3H3
InChIKeyVDOLLOGRGUYBEU-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
CID 82920189
3-benzylhexan-3-amine
CID 79007389
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
3-[(3-bromophenyl)methyl]pentan-3-amine
CID 60799234
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,2-dimethylbenzene
CID 79447242
1-(3,4-dimethylphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 63408206
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine?
The IUPAC name of 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine (CID 79007492) is 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine.
What is the SMILES notation for 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine?
The canonical SMILES for 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine is CCC(N)(Cc1ccccc1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine?
The InChIKey is VDOLLOGRGUYBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-19(20,13-17-8-6-5-7-9-17)14-18-11-10-15(2)16(3)12-18/h5-12H,4,13-14,20H2,1-3H3.
What are the key properties of 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine?
2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine is sourced from PubChem (CID 79007492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).