N-methyl-2-(4-methylphenyl)butan-1-amine

C12H19N — CID 64984808

IUPACN-methyl-2-(4-methylphenyl)butan-1-amine
SMILESCCC(CNC)c1ccc(C)cc1
InChIInChI=1S/C12H19N/c1-4-11(9-13-3)12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyCAVNCGZPYFVGBS-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)butan-1-amine

N-methyl-2-(4-methylphenyl)butan-1-amine (PubChem CID 64984808) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)butan-1-amine
PubChem CID64984808
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-2-(4-methylphenyl)butan-1-amine
SMILESCCC(CNC)c1ccc(C)cc1
InChIInChI=1S/C12H19N/c1-4-11(9-13-3)12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyCAVNCGZPYFVGBS-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749
N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
N-methyl-2-(4-methylphenyl)pent-4-en-1-amine
CID 154930772
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
CID 116964699
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
4-(4-methylphenyl)hexan-1-amine
CID 83930823
N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 100829555
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)butan-1-amine?
The IUPAC name of N-methyl-2-(4-methylphenyl)butan-1-amine (CID 64984808) is N-methyl-2-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)butan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)butan-1-amine is CCC(CNC)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)butan-1-amine?
The InChIKey is CAVNCGZPYFVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11(9-13-3)12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylphenyl)butan-1-amine?
N-methyl-2-(4-methylphenyl)butan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 64984808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).