N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine

C11H17ClN2O — CID 28772873

IUPACN'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H17ClN2O/c1-3-14(7-6-13)10-8-9(12)4-5-11(10)15-2/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyACQSCQHJRNBHQP-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.13
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine

N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 28772873) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
PubChem CID28772873
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H17ClN2O/c1-3-14(7-6-13)10-8-9(12)4-5-11(10)15-2/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyACQSCQHJRNBHQP-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 28795390
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N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792490
3-(5-chloro-N-formyl-2-methoxyanilino)propanoic acid
CID 20848120
N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998248
4-chloro-2-N-[3-(dimethylamino)propyl]-2-N-ethylbenzene-1,2-diamine
CID 102991096
4-(5-chloro-N-formyl-2-methoxyanilino)butanoic acid
CID 20848146
3-[5-chloro-2-methoxy-N-(2-methylpropyl)anilino]propanoic acid
CID 82319286
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine (CID 28772873) is N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine is CCN(CCN)c1cc(Cl)ccc1OC.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is ACQSCQHJRNBHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-14(7-6-13)10-8-9(12)4-5-11(10)15-2/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine?
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 28772873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).