4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol

C16H20N2O — CID 62321765

IUPAC4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
SMILESCCC(NCc1cccc(C)n1)c1ccc(O)cc1
InChIInChI=1S/C16H20N2O/c1-3-16(13-7-9-15(19)10-8-13)17-11-14-6-4-5-12(2)18-14/h4-10,16-17,19H,3,11H2,1-2H3
InChIKeyXOPSBGAUEJRUKD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.34
Rot. Bonds5

About 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol

4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol (PubChem CID 62321765) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
PubChem CID62321765
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
SMILESCCC(NCc1cccc(C)n1)c1ccc(O)cc1
InChIInChI=1S/C16H20N2O/c1-3-16(13-7-9-15(19)10-8-13)17-11-14-6-4-5-12(2)18-14/h4-10,16-17,19H,3,11H2,1-2H3
InChIKeyXOPSBGAUEJRUKD-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 62321246
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
CID 62322123
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 103711055
(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
1-cyclopropyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 64918219
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol?
The IUPAC name of 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol (CID 62321765) is 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol is CCC(NCc1cccc(C)n1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol?
The InChIKey is XOPSBGAUEJRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-16(13-7-9-15(19)10-8-13)17-11-14-6-4-5-12(2)18-14/h4-10,16-17,19H,3,11H2,1-2H3.
What are the key properties of 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol?
4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol is sourced from PubChem (CID 62321765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).