1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol

C16H20N2O2 — CID 81133898

IUPAC1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
SMILESCOc1cccc(C(O)CNCCc2ccncc2)c1
InChIInChI=1S/C16H20N2O2/c1-20-15-4-2-3-14(11-15)16(19)12-18-10-7-13-5-8-17-9-6-13/h2-6,8-9,11,16,18-19H,7,10,12H2,1H3
InChIKeyDVSICELDNZCUKO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.96
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol

1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol (PubChem CID 81133898) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
PubChem CID81133898
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
SMILESCOc1cccc(C(O)CNCCc2ccncc2)c1
InChIInChI=1S/C16H20N2O2/c1-20-15-4-2-3-14(11-15)16(19)12-18-10-7-13-5-8-17-9-6-13/h2-6,8-9,11,16,18-19H,7,10,12H2,1H3
InChIKeyDVSICELDNZCUKO-UHFFFAOYSA-N
XLogP1.96
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)ethylamino]ethanol
CID 81133901
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol (CID 81133898) is 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol is COc1cccc(C(O)CNCCc2ccncc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The InChIKey is DVSICELDNZCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-15-4-2-3-14(11-15)16(19)12-18-10-7-13-5-8-17-9-6-13/h2-6,8-9,11,16,18-19H,7,10,12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol has a molecular weight of 272.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol is sourced from PubChem (CID 81133898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).