6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol

C17H22N2O — CID 78928923

IUPAC6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCC(C)c2ccccc2)n1
InChIInChI=1S/C17H22N2O/c1-13(15-6-4-3-5-7-15)10-11-18-12-16-17(20)9-8-14(2)19-16/h3-9,13,18,20H,10-12H2,1-2H3
InChIKeyPNMQWIXDWGVOTK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.38
Rot. Bonds6

About 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol

6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol (PubChem CID 78928923) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
PubChem CID78928923
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCC(C)c2ccccc2)n1
InChIInChI=1S/C17H22N2O/c1-13(15-6-4-3-5-7-15)10-11-18-12-16-17(20)9-8-14(2)19-16/h3-9,13,18,20H,10-12H2,1-2H3
InChIKeyPNMQWIXDWGVOTK-UHFFFAOYSA-N
XLogP3.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-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

2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
CID 78928982
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
2-bromo-4-[(3-phenylbutylamino)methyl]phenol
CID 63052634
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
CID 79162732
N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 113231668
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928880

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol (CID 78928923) is 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNCCC(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol?
The InChIKey is PNMQWIXDWGVOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(15-6-4-3-5-7-15)10-11-18-12-16-17(20)9-8-14(2)19-16/h3-9,13,18,20H,10-12H2,1-2H3.
What are the key properties of 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol?
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol has a molecular weight of 270.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 78928923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).