1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol

C15H18N2O2 — CID 161335434

IUPAC1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol
SMILESCOc1ccc(CC(C)(O)Nc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2/c1-15(18,17-14-5-3-4-10-16-14)11-12-6-8-13(19-2)9-7-12/h3-10,18H,11H2,1-2H3,(H,16,17)
InChIKeyVLYYHFQCJUPOLV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol

1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol (PubChem CID 161335434) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol
PubChem CID161335434
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol
SMILESCOc1ccc(CC(C)(O)Nc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2/c1-15(18,17-14-5-3-4-10-16-14)11-12-6-8-13(19-2)9-7-12/h3-10,18H,11H2,1-2H3,(H,16,17)
InChIKeyVLYYHFQCJUPOLV-UHFFFAOYSA-N
XLogP2.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
CID 54373068
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111183852
2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 126179488
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol (CID 161335434) is 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol is COc1ccc(CC(C)(O)Nc2ccccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol?
The InChIKey is VLYYHFQCJUPOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(18,17-14-5-3-4-10-16-14)11-12-6-8-13(19-2)9-7-12/h3-10,18H,11H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol?
1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 161335434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).