2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride

C9H13Cl2NO2 — CID 171150550

IUPAC2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
SMILESCOc1ccc(OCCN)c(Cl)c1.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-12-7-2-3-9(8(10)6-7)13-5-4-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeySKKZRTBAOKBOGB-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride

2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride (PubChem CID 171150550) has the molecular formula C9H13Cl2NO2 and a molecular weight of 238.11 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
PubChem CID171150550
Molecular FormulaC9H13Cl2NO2
Molecular Weight238.11 g/mol
Exact Mass237.03
IUPAC Name2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
SMILESCOc1ccc(OCCN)c(Cl)c1.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-12-7-2-3-9(8(10)6-7)13-5-4-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeySKKZRTBAOKBOGB-UHFFFAOYSA-N
XLogP2.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-ethoxyphenoxy)ethanamine
CID 96671591
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
CID 84681449
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride (CID 171150550) is 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride is COc1ccc(OCCN)c(Cl)c1.Cl.
What is the InChIKey of 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride?
The InChIKey is SKKZRTBAOKBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2.ClH/c1-12-7-2-3-9(8(10)6-7)13-5-4-11;/h2-3,6H,4-5,11H2,1H3;1H.
What are the key properties of 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride?
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride has a molecular weight of 238.11 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 171150550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).