(4-ethylphenyl)methanamine

C9H13N — CID 3870219

IUPAC(4-ethylphenyl)methanamine
SMILESCCc1ccc(CN)cc1
InChIInChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7,10H2,1H3
InChIKeyDGAGEFUEKIORSQ-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.71
Rot. Bonds2

About (4-ethylphenyl)methanamine

(4-ethylphenyl)methanamine (PubChem CID 3870219) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (4-ethylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)methanamine
PubChem CID3870219
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(4-ethylphenyl)methanamine
SMILESCCc1ccc(CN)cc1
InChIInChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7,10H2,1H3
InChIKeyDGAGEFUEKIORSQ-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-ethylphenyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

Phenethylamine
CID 1001
Amphetamine
CID 3007
Dextroamphetamine
CID 5826
Benzylamine
CID 7504
Phentermine
CID 4771
1,3-Benzenedimethanamine
CID 15133
(-)-Amphetamine
CID 32893
N-Methylbenzylamine
CID 7669
1-Phenethylamine
CID 7408
N-Methylbenzeneethanamine
CID 11503
1,4-Benzenedimethanamine
CID 68315
3-Phenylpropylamine
CID 16259

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methanamine?
The IUPAC name of (4-ethylphenyl)methanamine (CID 3870219) is (4-ethylphenyl)methanamine.
What is the SMILES notation for (4-ethylphenyl)methanamine?
The canonical SMILES for (4-ethylphenyl)methanamine is CCc1ccc(CN)cc1.
What is the InChIKey of (4-ethylphenyl)methanamine?
The InChIKey is DGAGEFUEKIORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7,10H2,1H3.
What are the key properties of (4-ethylphenyl)methanamine?
(4-ethylphenyl)methanamine has a molecular weight of 135.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methanamine is sourced from PubChem (CID 3870219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).