1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol

C14H14ClNO2 — CID 62264762

IUPAC1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
SMILESNc1cccc(C(O)COc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO2/c15-12-6-1-2-7-14(12)18-9-13(17)10-4-3-5-11(16)8-10/h1-8,13,17H,9,16H2
InChIKeyUIXXMPVJHOSADQ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol

1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol (PubChem CID 62264762) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
PubChem CID62264762
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
SMILESNc1cccc(C(O)COc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO2/c15-12-6-1-2-7-14(12)18-9-13(17)10-4-3-5-11(16)8-10/h1-8,13,17H,9,16H2
InChIKeyUIXXMPVJHOSADQ-UHFFFAOYSA-N
XLogP3.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
CID 117246462
1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
CID 62267931
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
CID 117243009
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol (CID 62264762) is 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol is Nc1cccc(C(O)COc2ccccc2Cl)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol?
The InChIKey is UIXXMPVJHOSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-12-6-1-2-7-14(12)18-9-13(17)10-4-3-5-11(16)8-10/h1-8,13,17H,9,16H2.
What are the key properties of 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol?
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol has a molecular weight of 263.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol is sourced from PubChem (CID 62264762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).