N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine

C16H18Cl2N2O — CID 54808244

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-11-3-4-12(17)9-15(11)20-8-7-19-13-5-6-16(21-2)14(18)10-13/h3-6,9-10,19-20H,7-8H2,1-2H3
InChIKeyQVTKYWUVJICEPQ-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.83
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine

N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 54808244) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
PubChem CID54808244
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-11-3-4-12(17)9-15(11)20-8-7-19-13-5-6-16(21-2)14(18)10-13/h3-6,9-10,19-20H,7-8H2,1-2H3
InChIKeyQVTKYWUVJICEPQ-UHFFFAOYSA-N
XLogP4.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808245
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methoxyaniline
CID 54798694
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
3-chloro-4-methoxy-N-(3-methylbut-3-enyl)aniline
CID 114471881
N-(4-butoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808319

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine (CID 54808244) is N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine is COc1ccc(NCCNc2cc(Cl)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is QVTKYWUVJICEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-11-3-4-12(17)9-15(11)20-8-7-19-13-5-6-16(21-2)14(18)10-13/h3-6,9-10,19-20H,7-8H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine?
N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 325.24 g/mol, XLogP of 4.83, 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-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).