1-(4-ethylphenyl)-2-methylpropan-1-amine

C12H19N — CID 4962454

IUPAC1-(4-ethylphenyl)-2-methylpropan-1-amine
SMILESCCc1ccc(C(N)C(C)C)cc1
InChIInChI=1S/C12H19N/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h5-9,12H,4,13H2,1-3H3
InChIKeyAZZNVHCGSSIBSF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-ethylphenyl)-2-methylpropan-1-amine

1-(4-ethylphenyl)-2-methylpropan-1-amine (PubChem CID 4962454) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methylpropan-1-amine
PubChem CID4962454
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(4-ethylphenyl)-2-methylpropan-1-amine
SMILESCCc1ccc(C(N)C(C)C)cc1
InChIInChI=1S/C12H19N/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h5-9,12H,4,13H2,1-3H3
InChIKeyAZZNVHCGSSIBSF-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethylphenyl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-methylpropan-1-amine (CID 4962454) is 1-(4-ethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methylpropan-1-amine is CCc1ccc(C(N)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methylpropan-1-amine?
The InChIKey is AZZNVHCGSSIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h5-9,12H,4,13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-methylpropan-1-amine?
1-(4-ethylphenyl)-2-methylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 4962454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).