(4-ethylphenyl)-phenylmethanediamine

C15H18N2 — CID 139628675

IUPAC(4-ethylphenyl)-phenylmethanediamine
SMILESCCc1ccc(C(N)(N)c2ccccc2)cc1
InChIInChI=1S/C15H18N2/c1-2-12-8-10-14(11-9-12)15(16,17)13-6-4-3-5-7-13/h3-11H,2,16-17H2,1H3
InChIKeyUVSDGVITNIZZRS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.37
Rot. Bonds3

About (4-ethylphenyl)-phenylmethanediamine

(4-ethylphenyl)-phenylmethanediamine (PubChem CID 139628675) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-ethylphenyl)-phenylmethanediamine.

Molecular Properties

Compound Name(4-ethylphenyl)-phenylmethanediamine
PubChem CID139628675
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(4-ethylphenyl)-phenylmethanediamine
SMILESCCc1ccc(C(N)(N)c2ccccc2)cc1
InChIInChI=1S/C15H18N2/c1-2-12-8-10-14(11-9-12)15(16,17)13-6-4-3-5-7-13/h3-11H,2,16-17H2,1H3
InChIKeyUVSDGVITNIZZRS-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-ethylphenyl)-phenylmethanediamine 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

ethylbenzene;2-methylpropan-2-amine
CID 142271167
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
ethylcyclodecapentaene
CID 90861705
[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
CID 141047365
2-(4-ethylphenyl)-5-phenylpentan-2-amine
CID 63408465
1-tert-butyl-4-ethylbenzene
CID 157359507
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
CID 63417946
1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
CID 173452747

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-phenylmethanediamine?
The IUPAC name of (4-ethylphenyl)-phenylmethanediamine (CID 139628675) is (4-ethylphenyl)-phenylmethanediamine.
What is the SMILES notation for (4-ethylphenyl)-phenylmethanediamine?
The canonical SMILES for (4-ethylphenyl)-phenylmethanediamine is CCc1ccc(C(N)(N)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)-phenylmethanediamine?
The InChIKey is UVSDGVITNIZZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-12-8-10-14(11-9-12)15(16,17)13-6-4-3-5-7-13/h3-11H,2,16-17H2,1H3.
What are the key properties of (4-ethylphenyl)-phenylmethanediamine?
(4-ethylphenyl)-phenylmethanediamine has a molecular weight of 226.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-phenylmethanediamine is sourced from PubChem (CID 139628675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).