[2-(3,5-dimethylanilino)-3-pyridinyl]methanol

C14H16N2O — CID 82081347

IUPAC[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
SMILESCc1cc(C)cc(Nc2ncccc2CO)c1
InChIInChI=1S/C14H16N2O/c1-10-6-11(2)8-13(7-10)16-14-12(9-17)4-3-5-15-14/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyHZSWRXDNSLUMBM-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.93
Rot. Bonds3

About [2-(3,5-dimethylanilino)-3-pyridinyl]methanol

[2-(3,5-dimethylanilino)-3-pyridinyl]methanol (PubChem CID 82081347) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
PubChem CID82081347
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
SMILESCc1cc(C)cc(Nc2ncccc2CO)c1
InChIInChI=1S/C14H16N2O/c1-10-6-11(2)8-13(7-10)16-14-12(9-17)4-3-5-15-14/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyHZSWRXDNSLUMBM-UHFFFAOYSA-N
XLogP2.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 82081174
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
CID 82087006
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide
CID 53151398
3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 82341835
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-3-pyridinyl]methanol?
The IUPAC name of [2-(3,5-dimethylanilino)-3-pyridinyl]methanol (CID 82081347) is [2-(3,5-dimethylanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,5-dimethylanilino)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,5-dimethylanilino)-3-pyridinyl]methanol is Cc1cc(C)cc(Nc2ncccc2CO)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-3-pyridinyl]methanol?
The InChIKey is HZSWRXDNSLUMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-6-11(2)8-13(7-10)16-14-12(9-17)4-3-5-15-14/h3-8,17H,9H2,1-2H3,(H,15,16).
What are the key properties of [2-(3,5-dimethylanilino)-3-pyridinyl]methanol?
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol has a molecular weight of 228.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 82081347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).