2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine

C11H16ClNO2 — CID 84693141

IUPAC2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
SMILESCOc1cc(Cl)c(C)c(CCN)c1OC
InChIInChI=1S/C11H16ClNO2/c1-7-8(4-5-13)11(15-3)10(14-2)6-9(7)12/h6H,4-5,13H2,1-3H3
InChIKeyRMZSIKAXDZYSHW-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.17
Rot. Bonds4

About 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine

2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine (PubChem CID 84693141) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
PubChem CID84693141
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
SMILESCOc1cc(Cl)c(C)c(CCN)c1OC
InChIInChI=1S/C11H16ClNO2/c1-7-8(4-5-13)11(15-3)10(14-2)6-9(7)12/h6H,4-5,13H2,1-3H3
InChIKeyRMZSIKAXDZYSHW-UHFFFAOYSA-N
XLogP2.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine (CID 84693141) is 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine is COc1cc(Cl)c(C)c(CCN)c1OC.
What is the InChIKey of 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
The InChIKey is RMZSIKAXDZYSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7-8(4-5-13)11(15-3)10(14-2)6-9(7)12/h6H,4-5,13H2,1-3H3.
What are the key properties of 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine is sourced from PubChem (CID 84693141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).