1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine

C12H19ClN2O — CID 116947925

IUPAC1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCOc1ccc(C(CNC)NC)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-16-12-6-5-9(7-10(12)13)11(15-3)8-14-2/h5-7,11,14-15H,4,8H2,1-3H3
InChIKeyLXKPKPPSQLGXNW-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.22
Rot. Bonds6

About 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine

1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 116947925) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID116947925
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCOc1ccc(C(CNC)NC)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-16-12-6-5-9(7-10(12)13)11(15-3)8-14-2/h5-7,11,14-15H,4,8H2,1-3H3
InChIKeyLXKPKPPSQLGXNW-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948562
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
5-(3-chloro-4-ethoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956177
2-(3-chloro-4-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 116955010
1-(3-chloro-4-ethoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948719
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-(4-ethoxy-3-fluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950328

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine (CID 116947925) is 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine is CCOc1ccc(C(CNC)NC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is LXKPKPPSQLGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-16-12-6-5-9(7-10(12)13)11(15-3)8-14-2/h5-7,11,14-15H,4,8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 116947925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).