N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

C16H19ClN2O — CID 54807166

IUPACN'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O/c1-12-6-7-14(11-16(12)17)19-9-8-18-13-4-3-5-15(10-13)20-2/h3-7,10-11,18-19H,8-9H2,1-2H3
InChIKeyVJXVNIOAYTUOSQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.18
Rot. Bonds6

About N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 54807166) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID54807166
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O/c1-12-6-7-14(11-16(12)17)19-9-8-18-13-4-3-5-15(10-13)20-2/h3-7,10-11,18-19H,8-9H2,1-2H3
InChIKeyVJXVNIOAYTUOSQ-UHFFFAOYSA-N
XLogP4.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)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'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
N'-(3-chloro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810118
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
N-hexyl-3-methoxyaniline
CID 15500485
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 54807166) is N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NCCNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is VJXVNIOAYTUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12-6-7-14(11-16(12)17)19-9-8-18-13-4-3-5-15(10-13)20-2/h3-7,10-11,18-19H,8-9H2,1-2H3.
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 290.79 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54807166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).