2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol

C18H24N2O — CID 82314932

IUPAC2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)C(C)NCc2cccnc2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)17(14(3)9-12)18(21)15(4)20-11-16-6-5-7-19-10-16/h5-10,15,18,20-21H,11H2,1-4H3
InChIKeyOWJVSMIVLRFWTD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.22
Rot. Bonds5

About 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol

2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 82314932) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID82314932
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)C(C)NCc2cccnc2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)17(14(3)9-12)18(21)15(4)20-11-16-6-5-7-19-10-16/h5-10,15,18,20-21H,11H2,1-4H3
InChIKeyOWJVSMIVLRFWTD-UHFFFAOYSA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82100550
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 82314932) is 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)C(C)NCc2cccnc2)c(C)c1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is OWJVSMIVLRFWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-8-13(2)17(14(3)9-12)18(21)15(4)20-11-16-6-5-7-19-10-16/h5-10,15,18,20-21H,11H2,1-4H3.
What are the key properties of 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 82314932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).