4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol

C14H15ClN2O2 — CID 83166530

IUPAC4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cnccc2Cl)ccc1O
InChIInChI=1S/C14H15ClN2O2/c1-9(17-12-8-16-6-5-11(12)15)10-3-4-13(18)14(7-10)19-2/h3-9,17-18H,1-2H3
InChIKeyPTKKACXUMGPLLF-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.62
Rot. Bonds4

About 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol

4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol (PubChem CID 83166530) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
PubChem CID83166530
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cnccc2Cl)ccc1O
InChIInChI=1S/C14H15ClN2O2/c1-9(17-12-8-16-6-5-11(12)15)10-3-4-13(18)14(7-10)19-2/h3-9,17-18H,1-2H3
InChIKeyPTKKACXUMGPLLF-UHFFFAOYSA-N
XLogP3.62
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
CID 43678633
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
CID 83073198

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol (CID 83166530) is 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2cnccc2Cl)ccc1O.
What is the InChIKey of 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol?
The InChIKey is PTKKACXUMGPLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(17-12-8-16-6-5-11(12)15)10-3-4-13(18)14(7-10)19-2/h3-9,17-18H,1-2H3.
What are the key properties of 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol?
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol has a molecular weight of 278.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 83166530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).