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

C12H19N — CID 19797655

IUPAC4-(3,4-dimethylphenyl)butan-1-amine
SMILESCc1ccc(CCCCN)cc1C
InChIInChI=1S/C12H19N/c1-10-6-7-12(9-11(10)2)5-3-4-8-13/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyUSCHNUFEZAKENA-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.58
Rot. Bonds4

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

4-(3,4-dimethylphenyl)butan-1-amine (PubChem CID 19797655) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)butan-1-amine
PubChem CID19797655
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-(3,4-dimethylphenyl)butan-1-amine
SMILESCc1ccc(CCCCN)cc1C
InChIInChI=1S/C12H19N/c1-10-6-7-12(9-11(10)2)5-3-4-8-13/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyUSCHNUFEZAKENA-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.58
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

1,2-dimethyl-4-octylbenzene
CID 14044616
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
4-(4-methyl-3-methylsulfonylphenyl)butan-1-amine
CID 117355936
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
CID 150895968
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
CID 117285805
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)butan-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)butan-1-amine (CID 19797655) is 4-(3,4-dimethylphenyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)butan-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)butan-1-amine is Cc1ccc(CCCCN)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)butan-1-amine?
The InChIKey is USCHNUFEZAKENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-6-7-12(9-11(10)2)5-3-4-8-13/h6-7,9H,3-5,8,13H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)butan-1-amine?
4-(3,4-dimethylphenyl)butan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 19797655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).