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

C15H16Cl2N2O — CID 54805981

IUPACN'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H16Cl2N2O/c1-20-13-4-2-3-11(9-13)18-7-8-19-12-5-6-14(16)15(17)10-12/h2-6,9-10,18-19H,7-8H2,1H3
InChIKeyNRYSUIGTRPZQST-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.53
Rot. Bonds6

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

N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 54805981) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID54805981
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H16Cl2N2O/c1-20-13-4-2-3-11(9-13)18-7-8-19-12-5-6-14(16)15(17)10-12/h2-6,9-10,18-19H,7-8H2,1H3
InChIKeyNRYSUIGTRPZQST-UHFFFAOYSA-N
XLogP4.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
N-hexyl-3-methoxyaniline
CID 15500485
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805653
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
ethane;N-ethyl-3-methoxyaniline
CID 142222302
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 54805981) is N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NCCNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is NRYSUIGTRPZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-20-13-4-2-3-11(9-13)18-7-8-19-12-5-6-14(16)15(17)10-12/h2-6,9-10,18-19H,7-8H2,1H3.
What are the key properties of N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 311.21 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).