[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol

C17H22N2O2 — CID 61417707

IUPAC[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCOc1cccc(CN(C)c2nc(C)cc(C)c2CO)c1
InChIInChI=1S/C17H22N2O2/c1-12-8-13(2)18-17(16(12)11-20)19(3)10-14-6-5-7-15(9-14)21-4/h5-9,20H,10-11H2,1-4H3
InChIKeyVVLJTYOHJFEVSJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.84
Rot. Bonds5

About [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol

[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61417707) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61417707
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCOc1cccc(CN(C)c2nc(C)cc(C)c2CO)c1
InChIInChI=1S/C17H22N2O2/c1-12-8-13(2)18-17(16(12)11-20)19(3)10-14-6-5-7-15(9-14)21-4/h5-9,20H,10-11H2,1-4H3
InChIKeyVVLJTYOHJFEVSJ-UHFFFAOYSA-N
XLogP2.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,6-dimethyl-2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61256043
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
CID 61255946
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
(3-methoxyphenyl)(113C)methanol
CID 11593446
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 34656415
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol (CID 61417707) is [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol is COc1cccc(CN(C)c2nc(C)cc(C)c2CO)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is VVLJTYOHJFEVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-8-13(2)18-17(16(12)11-20)19(3)10-14-6-5-7-15(9-14)21-4/h5-9,20H,10-11H2,1-4H3.
What are the key properties of [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61417707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).