1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine

C11H17ClN2O — CID 104816313

IUPAC1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1c(Cl)cccc1OC
InChIInChI=1S/C11H17ClN2O/c1-3-14-9(7-13)11-8(12)5-4-6-10(11)15-2/h4-6,9,14H,3,7,13H2,1-2H3
InChIKeyVAEZFEXERFPLTQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine

1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine (PubChem CID 104816313) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
PubChem CID104816313
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1c(Cl)cccc1OC
InChIInChI=1S/C11H17ClN2O/c1-3-14-9(7-13)11-8(12)5-4-6-10(11)15-2/h4-6,9,14H,3,7,13H2,1-2H3
InChIKeyVAEZFEXERFPLTQ-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
CID 104816416
2-(2-chloro-6-methoxyphenyl)-2-triethylsilyloxyethanamine
CID 123701807
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360404
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
1-(2-chloro-6-methoxyphenyl)ethoxy-triethylsilane
CID 123207858

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine (CID 104816313) is 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine is CCNC(CN)c1c(Cl)cccc1OC.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is VAEZFEXERFPLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-14-9(7-13)11-8(12)5-4-6-10(11)15-2/h4-6,9,14H,3,7,13H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine?
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 104816313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).