2-(2-chloro-6-methylphenyl)ethanamine

C9H12ClN — CID 84731855

IUPAC2-(2-chloro-6-methylphenyl)ethanamine
SMILESCc1cccc(Cl)c1CCN
InChIInChI=1S/C9H12ClN/c1-7-3-2-4-9(10)8(7)5-6-11/h2-4H,5-6,11H2,1H3
InChIKeyUXMCACVLSXDYRW-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-chloro-6-methylphenyl)ethanamine

2-(2-chloro-6-methylphenyl)ethanamine (PubChem CID 84731855) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenyl)ethanamine
PubChem CID84731855
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2-(2-chloro-6-methylphenyl)ethanamine
SMILESCc1cccc(Cl)c1CCN
InChIInChI=1S/C9H12ClN/c1-7-3-2-4-9(10)8(7)5-6-11/h2-4H,5-6,11H2,1H3
InChIKeyUXMCACVLSXDYRW-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63820479
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
CID 140826953
CID 140826953
2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
CID 63835994
(2-chloro-6-methylphenyl)methanesulfonamide
CID 86163288
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-methylphenyl)ethanamine (CID 84731855) is 2-(2-chloro-6-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-methylphenyl)ethanamine is Cc1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-chloro-6-methylphenyl)ethanamine?
The InChIKey is UXMCACVLSXDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-7-3-2-4-9(10)8(7)5-6-11/h2-4H,5-6,11H2,1H3.
What are the key properties of 2-(2-chloro-6-methylphenyl)ethanamine?
2-(2-chloro-6-methylphenyl)ethanamine has a molecular weight of 169.66 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenyl)ethanamine is sourced from PubChem (CID 84731855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).