2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine

C15H25N — CID 79445431

IUPAC2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)C(CNC)c1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-6-11(2)15(10-16-5)14-8-7-12(3)13(4)9-14/h7-9,11,15-16H,6,10H2,1-5H3
InChIKeyUTUXJEJNXXMSJN-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.65
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine

2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 79445431) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
PubChem CID79445431
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)C(CNC)c1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-6-11(2)15(10-16-5)14-8-7-12(3)13(4)9-14/h7-9,11,15-16H,6,10H2,1-5H3
InChIKeyUTUXJEJNXXMSJN-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
CID 79307170
2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 107887072
N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 107887070
2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887077
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 79445775
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
CID 57274293
4-(1-methoxypropyl)-1,2-dimethylbenzene
CID 54163976
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine (CID 79445431) is 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine is CCC(C)C(CNC)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is UTUXJEJNXXMSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-11(2)15(10-16-5)14-8-7-12(3)13(4)9-14/h7-9,11,15-16H,6,10H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine?
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 79445431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).