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

C12H19ClN2O — CID 116934896

IUPAC1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCNCC(N)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-3-15-8-11(14)9-5-6-12(16-4-2)10(13)7-9/h5-7,11,15H,3-4,8,14H2,1-2H3
InChIKeyAIPCYCKIGSUBOM-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.35
Rot. Bonds6

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

1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 116934896) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
PubChem CID116934896
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCNCC(N)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-3-15-8-11(14)9-5-6-12(16-4-2)10(13)7-9/h5-7,11,15H,3-4,8,14H2,1-2H3
InChIKeyAIPCYCKIGSUBOM-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 116934854
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947925
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
CID 116947040
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934028
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
1-(3-chloro-4-ethoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948719
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine (CID 116934896) is 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine is CCNCC(N)c1ccc(OCC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is AIPCYCKIGSUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-15-8-11(14)9-5-6-12(16-4-2)10(13)7-9/h5-7,11,15H,3-4,8,14H2,1-2H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.35, 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'-ethylethane-1,2-diamine is sourced from PubChem (CID 116934896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).