1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol

C17H22N2O2 — CID 60908884

IUPAC1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNCCc2cccnc2)c1
InChIInChI=1S/C17H22N2O2/c1-14-4-2-6-17(10-14)21-13-16(20)12-19-9-7-15-5-3-8-18-11-15/h2-6,8,10-11,16,19-20H,7,9,12-13H2,1H3
InChIKeyZPSIJBXZJDKRTO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds8

About 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol

1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol (PubChem CID 60908884) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
PubChem CID60908884
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNCCc2cccnc2)c1
InChIInChI=1S/C17H22N2O2/c1-14-4-2-6-17(10-14)21-13-16(20)12-19-9-7-15-5-3-8-18-11-15/h2-6,8,10-11,16,19-20H,7,9,12-13H2,1H3
InChIKeyZPSIJBXZJDKRTO-UHFFFAOYSA-N
XLogP1.96
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
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

(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(propan-2-ylamino)-3-[4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol
CID 146141767
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633949

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol (CID 60908884) is 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol is Cc1cccc(OCC(O)CNCCc2cccnc2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
The InChIKey is ZPSIJBXZJDKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-4-2-6-17(10-14)21-13-16(20)12-19-9-7-15-5-3-8-18-11-15/h2-6,8,10-11,16,19-20H,7,9,12-13H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 60908884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).