2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride

C9H13Cl2NO — CID 11687211

IUPAC2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(Cl)c(CCN)c1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-12-8-2-3-9(10)7(6-8)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyBTZKLRSEAGIAEJ-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride

2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 11687211) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
PubChem CID11687211
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(Cl)c(CCN)c1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-12-8-2-3-9(10)7(6-8)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyBTZKLRSEAGIAEJ-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine
CID 10752516
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
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2-(3-bromopropyl)-1-chloro-4-methoxybenzene
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2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
CID 69464363
2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride (CID 11687211) is 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(Cl)c(CCN)c1.Cl.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is BTZKLRSEAGIAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-12-8-2-3-9(10)7(6-8)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H.
What are the key properties of 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride?
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 11687211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).