1-(4-ethylphenyl)-N-phenylethane-1,2-diamine

C16H20N2 — CID 65382327

IUPAC1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
SMILESCCc1ccc(C(CN)Nc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-2-13-8-10-14(11-9-13)16(12-17)18-15-6-4-3-5-7-15/h3-11,16,18H,2,12,17H2,1H3
InChIKeyIPXVAHHTVXUALH-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine

1-(4-ethylphenyl)-N-phenylethane-1,2-diamine (PubChem CID 65382327) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
PubChem CID65382327
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
SMILESCCc1ccc(C(CN)Nc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-2-13-8-10-14(11-9-13)16(12-17)18-15-6-4-3-5-7-15/h3-11,16,18H,2,12,17H2,1H3
InChIKeyIPXVAHHTVXUALH-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine 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

1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
CID 65380712
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
N-benzhydryl-4-ethylaniline
CID 175202309
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
(3R)-3-anilino-1-(4-ethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 39368809
N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 107527972

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine (CID 65382327) is 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine is CCc1ccc(C(CN)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine?
The InChIKey is IPXVAHHTVXUALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-13-8-10-14(11-9-13)16(12-17)18-15-6-4-3-5-7-15/h3-11,16,18H,2,12,17H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine?
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 65382327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).