N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine

C16H19ClN2 — CID 65382748

IUPACN-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C16H19ClN2/c1-11-5-3-8-15(12(11)2)16(10-18)19-14-7-4-6-13(17)9-14/h3-9,16,19H,10,18H2,1-2H3
InChIKeyCFNHYTSZXKQAEO-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.07
Rot. Bonds4

About N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine

N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine (PubChem CID 65382748) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
PubChem CID65382748
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C16H19ClN2/c1-11-5-3-8-15(12(11)2)16(10-18)19-14-7-4-6-13(17)9-14/h3-9,16,19H,10,18H2,1-2H3
InChIKeyCFNHYTSZXKQAEO-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)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

1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65384440
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107573232
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
3-N-(3-chlorophenyl)butane-1,3-diamine
CID 117027031

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine (CID 65382748) is N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine is Cc1cccc(C(CN)Nc2cccc(Cl)c2)c1C.
What is the InChIKey of N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is CFNHYTSZXKQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-5-3-8-15(12(11)2)16(10-18)19-14-7-4-6-13(17)9-14/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65382748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).