3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol

C15H18N2O — CID 65188105

IUPAC3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
SMILESCc1cccc(C(CN)C(O)c2ccncc2)c1
InChIInChI=1S/C15H18N2O/c1-11-3-2-4-13(9-11)14(10-16)15(18)12-5-7-17-8-6-12/h2-9,14-15,18H,10,16H2,1H3
InChIKeyOUDFLNFNESRCIB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol

3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 65188105) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
PubChem CID65188105
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
SMILESCc1cccc(C(CN)C(O)c2ccncc2)c1
InChIInChI=1S/C15H18N2O/c1-11-3-2-4-13(9-11)14(10-16)15(18)12-5-7-17-8-6-12/h2-9,14-15,18H,10,16H2,1H3
InChIKeyOUDFLNFNESRCIB-UHFFFAOYSA-N
XLogP2.17
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
CID 118675600
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
CID 65188216
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol (CID 65188105) is 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol is Cc1cccc(C(CN)C(O)c2ccncc2)c1.
What is the InChIKey of 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol?
The InChIKey is OUDFLNFNESRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-2-4-13(9-11)14(10-16)15(18)12-5-7-17-8-6-12/h2-9,14-15,18H,10,16H2,1H3.
What are the key properties of 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol?
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 65188105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).