1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol

C18H24N2O — CID 79037353

IUPAC1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
SMILESCc1cc(C)cc(C(O)CN(C)CCc2ccccn2)c1
InChIInChI=1S/C18H24N2O/c1-14-10-15(2)12-16(11-14)18(21)13-20(3)9-7-17-6-4-5-8-19-17/h4-6,8,10-12,18,21H,7,9,13H2,1-3H3
InChIKeyPHZGOSTXGPKHEB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.91
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol

1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol (PubChem CID 79037353) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
PubChem CID79037353
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
SMILESCc1cc(C)cc(C(O)CN(C)CCc2ccccn2)c1
InChIInChI=1S/C18H24N2O/c1-14-10-15(2)12-16(11-14)18(21)13-20(3)9-7-17-6-4-5-8-19-17/h4-6,8,10-12,18,21H,7,9,13H2,1-3H3
InChIKeyPHZGOSTXGPKHEB-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 114228723
(1R,2S,3S)-1-[4-(hydroxymethyl)phenyl]-4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylbutane-1,3-diol
CID 6681507
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
1-(1-methoxypropan-2-yloxy)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 106991705
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol (CID 79037353) is 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol is Cc1cc(C)cc(C(O)CN(C)CCc2ccccn2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol?
The InChIKey is PHZGOSTXGPKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-10-15(2)12-16(11-14)18(21)13-20(3)9-7-17-6-4-5-8-19-17/h4-6,8,10-12,18,21H,7,9,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol?
1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol has a molecular weight of 284.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol is sourced from PubChem (CID 79037353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).