1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol

C15H17ClN2O2 — CID 62989373

IUPAC1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
SMILESCOc1cc(CNCC(O)c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H17ClN2O2/c1-20-15-8-11(6-7-18-15)9-17-10-14(19)12-2-4-13(16)5-3-12/h2-8,14,17,19H,9-10H2,1H3
InChIKeyAOYCDNKZPPBUFK-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.57
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol (PubChem CID 62989373) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
PubChem CID62989373
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
SMILESCOc1cc(CNCC(O)c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H17ClN2O2/c1-20-15-8-11(6-7-18-15)9-17-10-14(19)12-2-4-13(16)5-3-12/h2-8,14,17,19H,9-10H2,1H3
InChIKeyAOYCDNKZPPBUFK-UHFFFAOYSA-N
XLogP2.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
CID 62992019
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 62989552
1-[(4-chlorophenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]-2-methylguanidine
CID 111131126
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62989903
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62990076
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol (CID 62989373) is 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol is COc1cc(CNCC(O)c2ccc(Cl)cc2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol?
The InChIKey is AOYCDNKZPPBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-15-8-11(6-7-18-15)9-17-10-14(19)12-2-4-13(16)5-3-12/h2-8,14,17,19H,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol has a molecular weight of 292.77 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 62989373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).