1-(4-chloro-2,6-dimethoxyphenyl)ethanamine

C10H14ClNO2 — CID 130139712

IUPAC1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
SMILESCOc1cc(Cl)cc(OC)c1C(C)N
InChIInChI=1S/C10H14ClNO2/c1-6(12)10-8(13-2)4-7(11)5-9(10)14-3/h4-6H,12H2,1-3H3
InChIKeyOLZYUTSJGMQESE-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine

1-(4-chloro-2,6-dimethoxyphenyl)ethanamine (PubChem CID 130139712) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
PubChem CID130139712
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
SMILESCOc1cc(Cl)cc(OC)c1C(C)N
InChIInChI=1S/C10H14ClNO2/c1-6(12)10-8(13-2)4-7(11)5-9(10)14-3/h4-6H,12H2,1-3H3
InChIKeyOLZYUTSJGMQESE-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
3-amino-3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117432171
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine (CID 130139712) is 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine is COc1cc(Cl)cc(OC)c1C(C)N.
What is the InChIKey of 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine?
The InChIKey is OLZYUTSJGMQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6(12)10-8(13-2)4-7(11)5-9(10)14-3/h4-6H,12H2,1-3H3.
What are the key properties of 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine?
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine has a molecular weight of 215.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 130139712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).