2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol

C14H15ClN2O2 — CID 133351741

IUPAC2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-19-11-4-2-10(3-5-11)14(18)9-17-13-6-7-16-8-12(13)15/h2-8,14,18H,9H2,1H3,(H,16,17)
InChIKeyMZEVNLVVENVTAQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol

2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 133351741) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID133351741
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-19-11-4-2-10(3-5-11)14(18)9-17-13-6-7-16-8-12(13)15/h2-8,14,18H,9H2,1H3,(H,16,17)
InChIKeyMZEVNLVVENVTAQ-UHFFFAOYSA-N
XLogP2.89
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
CID 97221871
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
4,5-dichloro-2-[3-chloro-4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]phenyl]pyridazin-3-one
CID 52676662
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
1-(4-chlorophenyl)-2-[(7-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 110432928
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
(1S)-2-(5-chloro-2-nitroanilino)-1-(4-methoxyphenyl)ethanol
CID 100611705

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol (CID 133351741) is 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2ccncc2Cl)cc1.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is MZEVNLVVENVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-19-11-4-2-10(3-5-11)14(18)9-17-13-6-7-16-8-12(13)15/h2-8,14,18H,9H2,1H3,(H,16,17).
What are the key properties of 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 278.74 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 133351741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).