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

C16H18Cl2N2O — CID 54805983

IUPACN'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N2O/c1-2-21-14-5-3-4-12(10-14)19-8-9-20-13-6-7-15(17)16(18)11-13/h3-7,10-11,19-20H,2,8-9H2,1H3
InChIKeyLJDPDMHNPRKFSL-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.92
Rot. Bonds7

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

N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 54805983) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
PubChem CID54805983
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N2O/c1-2-21-14-5-3-4-12(10-14)19-8-9-20-13-6-7-15(17)16(18)11-13/h3-7,10-11,19-20H,2,8-9H2,1H3
InChIKeyLJDPDMHNPRKFSL-UHFFFAOYSA-N
XLogP4.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.92
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'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-ethoxy-N-propylaniline
CID 54800867
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
N-tert-butyl-3-ethoxyaniline
CID 58745523

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine (CID 54805983) is N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine is CCOc1cccc(NCCNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is LJDPDMHNPRKFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-2-21-14-5-3-4-12(10-14)19-8-9-20-13-6-7-15(17)16(18)11-13/h3-7,10-11,19-20H,2,8-9H2,1H3.
What are the key properties of N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 325.24 g/mol, XLogP of 4.92, 7 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-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).