1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine

C11H16ClNO2 — CID 84693142

IUPAC1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
SMILESCOc1cc(Cl)c(C)c(C(C)N)c1OC
InChIInChI=1S/C11H16ClNO2/c1-6-8(12)5-9(14-3)11(15-4)10(6)7(2)13/h5,7H,13H2,1-4H3
InChIKeyYSTLPVWAFIPANS-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.69
Rot. Bonds3

About 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine

1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine (PubChem CID 84693142) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
PubChem CID84693142
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
SMILESCOc1cc(Cl)c(C)c(C(C)N)c1OC
InChIInChI=1S/C11H16ClNO2/c1-6-8(12)5-9(14-3)11(15-4)10(6)7(2)13/h5,7H,13H2,1-4H3
InChIKeyYSTLPVWAFIPANS-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
CID 84683281
3-amino-3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propanoic acid
CID 117437001
4-amino-4-(5-chloro-2,3-dimethoxy-6-methylphenyl)butanoic acid
CID 117464407
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine (CID 84693142) is 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine is COc1cc(Cl)c(C)c(C(C)N)c1OC.
What is the InChIKey of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
The InChIKey is YSTLPVWAFIPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-6-8(12)5-9(14-3)11(15-4)10(6)7(2)13/h5,7H,13H2,1-4H3.
What are the key properties of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine?
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine is sourced from PubChem (CID 84693142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).