4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine

C15H18N2 — CID 79763749

IUPAC4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccccc1CCNc1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-12-4-2-3-5-13(12)10-11-17-15-8-6-14(16)7-9-15/h2-9,17H,10-11,16H2,1H3
InChIKeyBXXYQOSFCRCCTC-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.23
Rot. Bonds4

About 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine

4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 79763749) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
PubChem CID79763749
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccccc1CCNc1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-12-4-2-3-5-13(12)10-11-17-15-8-6-14(16)7-9-15/h2-9,17H,10-11,16H2,1H3
InChIKeyBXXYQOSFCRCCTC-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-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

N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
4-hexoxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54798890
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756333
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80850064
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine (CID 79763749) is 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine is Cc1ccccc1CCNc1ccc(N)cc1.
What is the InChIKey of 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is BXXYQOSFCRCCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-4-2-3-5-13(12)10-11-17-15-8-6-14(16)7-9-15/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 79763749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).