1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol

C13H13ClN2O2 — CID 64601162

IUPAC1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
SMILESNc1ccc(C(O)COc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H13ClN2O2/c14-10-5-12(7-16-6-10)18-8-13(17)9-1-3-11(15)4-2-9/h1-7,13,17H,8,15H2
InChIKeyHXYGVNSIMHHKSC-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol

1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol (PubChem CID 64601162) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
PubChem CID64601162
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
SMILESNc1ccc(C(O)COc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H13ClN2O2/c14-10-5-12(7-16-6-10)18-8-13(17)9-1-3-11(15)4-2-9/h1-7,13,17H,8,15H2
InChIKeyHXYGVNSIMHHKSC-UHFFFAOYSA-N
XLogP2.43
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
CID 63877954
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
CID 167764455
methyl 2-bromo-3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 81092460
2-(4-aminophenoxy)-1-(2-chloro-4,5-dimethoxyphenyl)ethanol
CID 46307228
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 64600997
5-[(5-chloro-3-pyridinyl)oxymethyl]pyrazin-2-amine
CID 103059159
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
CID 62266291

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol (CID 64601162) is 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol is Nc1ccc(C(O)COc2cncc(Cl)c2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol?
The InChIKey is HXYGVNSIMHHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-10-5-12(7-16-6-10)18-8-13(17)9-1-3-11(15)4-2-9/h1-7,13,17H,8,15H2.
What are the key properties of 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol?
1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol has a molecular weight of 264.71 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol is sourced from PubChem (CID 64601162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).