2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol

C18H24N2O — CID 59073565

IUPAC2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
SMILESCc1cc(C(C)CN(C)Cc2cccnc2)cc(C)c1O
InChIInChI=1S/C18H24N2O/c1-13-8-17(9-14(2)18(13)21)15(3)11-20(4)12-16-6-5-7-19-10-16/h5-10,15,21H,11-12H2,1-4H3
InChIKeyZWLWUUYZTYTDLA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.64
Rot. Bonds5

About 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol

2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol (PubChem CID 59073565) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
PubChem CID59073565
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
SMILESCc1cc(C(C)CN(C)Cc2cccnc2)cc(C)c1O
InChIInChI=1S/C18H24N2O/c1-13-8-17(9-14(2)18(13)21)15(3)11-20(4)12-16-6-5-7-19-10-16/h5-10,15,21H,11-12H2,1-4H3
InChIKeyZWLWUUYZTYTDLA-UHFFFAOYSA-N
XLogP3.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977801
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
CID 65015832
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
CID 77043592
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol (CID 59073565) is 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol is Cc1cc(C(C)CN(C)Cc2cccnc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol?
The InChIKey is ZWLWUUYZTYTDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-17(9-14(2)18(13)21)15(3)11-20(4)12-16-6-5-7-19-10-16/h5-10,15,21H,11-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol?
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol has a molecular weight of 284.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol is sourced from PubChem (CID 59073565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).