2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol

C16H19ClN2O3 — CID 111916706

IUPAC2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)CNCc2ccc(Cl)nc2)c1
InChIInChI=1S/C16H19ClN2O3/c1-21-13-5-12(6-14(7-13)22-2)15(20)10-18-8-11-3-4-16(17)19-9-11/h3-7,9,15,18,20H,8,10H2,1-2H3
InChIKeyQVHVDNYLHMNXMV-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.58
Rot. Bonds7

About 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol

2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 111916706) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID111916706
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)CNCc2ccc(Cl)nc2)c1
InChIInChI=1S/C16H19ClN2O3/c1-21-13-5-12(6-14(7-13)22-2)15(20)10-18-8-11-3-4-16(17)19-9-11/h3-7,9,15,18,20H,8,10H2,1-2H3
InChIKeyQVHVDNYLHMNXMV-UHFFFAOYSA-N
XLogP2.58
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 111427307
(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 124625577
2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133
(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
CID 134448147
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol (CID 111916706) is 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc(C(O)CNCc2ccc(Cl)nc2)c1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is QVHVDNYLHMNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-21-13-5-12(6-14(7-13)22-2)15(20)10-18-8-11-3-4-16(17)19-9-11/h3-7,9,15,18,20H,8,10H2,1-2H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol has a molecular weight of 322.79 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 111916706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).