(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol

C17H20N2O — CID 163758169

IUPAC(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
SMILESNc1cccc([C@](O)(CCC2CC2)c2cccnc2)c1
InChIInChI=1S/C17H20N2O/c18-16-5-1-3-14(11-16)17(20,9-8-13-6-7-13)15-4-2-10-19-12-15/h1-5,10-13,20H,6-9,18H2/t17-/m1/s1
InChIKeyLVWNIZABMLWHRO-QGZVFWFLSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds5

About (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol

(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol (PubChem CID 163758169) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
PubChem CID163758169
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
SMILESNc1cccc([C@](O)(CCC2CC2)c2cccnc2)c1
InChIInChI=1S/C17H20N2O/c18-16-5-1-3-14(11-16)17(20,9-8-13-6-7-13)15-4-2-10-19-12-15/h1-5,10-13,20H,6-9,18H2/t17-/m1/s1
InChIKeyLVWNIZABMLWHRO-QGZVFWFLSA-N
XLogP3.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
CID 123163393
1,1,2-tripyridin-3-ylethanol
CID 57425683
tripyridin-3-ylmethanol
CID 177395677
1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol
CID 21420912
1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol
CID 21420913
3-[(E)-3-cyclopropyl-1-pyridin-3-ylprop-1-enyl]aniline
CID 126665781
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
CID 13193271
(2Z,4Z)-2-[3-(aminomethyl)anilino]-4-(trifluoromethyl)hepta-2,4-dienal;3-cyclopropyl-1-(4-fluoro-3-methylphenyl)-1-pyridin-3-ylpropan-1-ol;prop-1-ene
CID 144916933
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
dicyclohexyl(pyridin-3-yl)methanol
CID 70631118
1-(3-aminophenyl)-1-piperidin-4-ylethanol
CID 115032215

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol (CID 163758169) is (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol is Nc1cccc([C@](O)(CCC2CC2)c2cccnc2)c1.
What is the InChIKey of (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
The InChIKey is LVWNIZABMLWHRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-5-1-3-14(11-16)17(20,9-8-13-6-7-13)15-4-2-10-19-12-15/h1-5,10-13,20H,6-9,18H2/t17-/m1/s1.
What are the key properties of (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 163758169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).