6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol

C16H20N2O — CID 78928880

IUPAC6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
SMILESCc1cccc(CCNCc2nc(C)ccc2O)c1
InChIInChI=1S/C16H20N2O/c1-12-4-3-5-14(10-12)8-9-17-11-15-16(19)7-6-13(2)18-15/h3-7,10,17,19H,8-9,11H2,1-2H3
InChIKeyJKUNRAFVRWXAQW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.74
Rot. Bonds5

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

6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol (PubChem CID 78928880) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
PubChem CID78928880
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
SMILESCc1cccc(CCNCc2nc(C)ccc2O)c1
InChIInChI=1S/C16H20N2O/c1-12-4-3-5-14(10-12)8-9-17-11-15-16(19)7-6-13(2)18-15/h3-7,10,17,19H,8-9,11H2,1-2H3
InChIKeyJKUNRAFVRWXAQW-UHFFFAOYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 103648527
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 114015020

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol (CID 78928880) is 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol is Cc1cccc(CCNCc2nc(C)ccc2O)c1.
What is the InChIKey of 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is JKUNRAFVRWXAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-3-5-14(10-12)8-9-17-11-15-16(19)7-6-13(2)18-15/h3-7,10,17,19H,8-9,11H2,1-2H3.
What are the key properties of 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol?
6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 256.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 78928880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).