2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol

C15H18N2O — CID 112553988

IUPAC2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
SMILESCc1cccc(CNC(C)c2cccnc2)c1O
InChIInChI=1S/C15H18N2O/c1-11-5-3-6-14(15(11)18)10-17-12(2)13-7-4-8-16-9-13/h3-9,12,17-18H,10H2,1-2H3
InChIKeyZOFFWXIIJXLBFN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol

2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol (PubChem CID 112553988) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
PubChem CID112553988
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
SMILESCc1cccc(CNC(C)c2cccnc2)c1O
InChIInChI=1S/C15H18N2O/c1-11-5-3-6-14(15(11)18)10-17-12(2)13-7-4-8-16-9-13/h3-9,12,17-18H,10H2,1-2H3
InChIKeyZOFFWXIIJXLBFN-UHFFFAOYSA-N
XLogP2.95
TPSA45.15 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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 115904447
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
CID 112554882
4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 95296775
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol (CID 112553988) is 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol is Cc1cccc(CNC(C)c2cccnc2)c1O.
What is the InChIKey of 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol?
The InChIKey is ZOFFWXIIJXLBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-3-6-14(15(11)18)10-17-12(2)13-7-4-8-16-9-13/h3-9,12,17-18H,10H2,1-2H3.
What are the key properties of 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol?
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol is sourced from PubChem (CID 112553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).