N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine

C16H19ClN2 — CID 28771393

IUPACN'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN)Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-13-6-8-15(9-7-13)19(11-10-18)12-14-4-2-3-5-16(14)17/h2-9H,10-12,18H2,1H3
InChIKeyDBFBKNZGPMEPRD-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.61
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine

N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 28771393) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID28771393
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN)Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-13-6-8-15(9-7-13)19(11-10-18)12-14-4-2-3-5-16(14)17/h2-9H,10-12,18H2,1H3
InChIKeyDBFBKNZGPMEPRD-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-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

N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
CID 62003173
N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 28771738
N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 28771619
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
CID 112616167
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 22036168
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride
CID 21414515

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine (CID 28771393) is N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(CCN)Cc2ccccc2Cl)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is DBFBKNZGPMEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-13-6-8-15(9-7-13)19(11-10-18)12-14-4-2-3-5-16(14)17/h2-9H,10-12,18H2,1H3.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 28771393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).