2-(3-chloro-2-methoxyanilino)ethanol

C9H12ClNO2 — CID 130667587

IUPAC2-(3-chloro-2-methoxyanilino)ethanol
SMILESCOc1c(Cl)cccc1NCCO
InChIInChI=1S/C9H12ClNO2/c1-13-9-7(10)3-2-4-8(9)11-5-6-12/h2-4,11-12H,5-6H2,1H3
InChIKeyBVGWATVQXVCNTH-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-chloro-2-methoxyanilino)ethanol

2-(3-chloro-2-methoxyanilino)ethanol (PubChem CID 130667587) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-methoxyanilino)ethanol
PubChem CID130667587
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(3-chloro-2-methoxyanilino)ethanol
SMILESCOc1c(Cl)cccc1NCCO
InChIInChI=1S/C9H12ClNO2/c1-13-9-7(10)3-2-4-8(9)11-5-6-12/h2-4,11-12H,5-6H2,1H3
InChIKeyBVGWATVQXVCNTH-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethoxyanilino)ethanol
CID 174734615
5-(3-chloro-2-ethoxyanilino)pentan-1-ol
CID 111770370
(3-chloro-2-methoxyphenyl)hydrazine;hydrochloride
CID 138619398
2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol
CID 91146715
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
2-[3-(2-hydroxyethylamino)-4-methoxy-5-methylanilino]ethanol;2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanol
CID 68517296
3-chloro-2-methoxy-N-phenylaniline
CID 171920172
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976344
2-[(3-chloro-2-methoxyanilino)methyl]benzonitrile
CID 47077690
3-chloro-N-cyclopentyl-2-methoxyaniline
CID 115884195

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxyanilino)ethanol?
The IUPAC name of 2-(3-chloro-2-methoxyanilino)ethanol (CID 130667587) is 2-(3-chloro-2-methoxyanilino)ethanol.
What is the SMILES notation for 2-(3-chloro-2-methoxyanilino)ethanol?
The canonical SMILES for 2-(3-chloro-2-methoxyanilino)ethanol is COc1c(Cl)cccc1NCCO.
What is the InChIKey of 2-(3-chloro-2-methoxyanilino)ethanol?
The InChIKey is BVGWATVQXVCNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-9-7(10)3-2-4-8(9)11-5-6-12/h2-4,11-12H,5-6H2,1H3.
What are the key properties of 2-(3-chloro-2-methoxyanilino)ethanol?
2-(3-chloro-2-methoxyanilino)ethanol has a molecular weight of 201.65 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxyanilino)ethanol is sourced from PubChem (CID 130667587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).