[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol

C14H16N2O — CID 82081342

IUPAC[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
SMILESCc1ccc(CNc2ncccc2CO)cc1
InChIInChI=1S/C14H16N2O/c1-11-4-6-12(7-5-11)9-16-14-13(10-17)3-2-8-15-14/h2-8,17H,9-10H2,1H3,(H,15,16)
InChIKeyPGRCVWFOGDPNNI-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.49
Rot. Bonds4

About [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol

[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol (PubChem CID 82081342) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
PubChem CID82081342
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
SMILESCc1ccc(CNc2ncccc2CO)cc1
InChIInChI=1S/C14H16N2O/c1-11-4-6-12(7-5-11)9-16-14-13(10-17)3-2-8-15-14/h2-8,17H,9-10H2,1H3,(H,15,16)
InChIKeyPGRCVWFOGDPNNI-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
2-fluoro-5-[[[3-(hydroxymethyl)-2-pyridinyl]amino]methyl]benzonitrile
CID 83317572
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232377
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 82341835
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
CID 83316546
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol (CID 82081342) is [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol is Cc1ccc(CNc2ncccc2CO)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol?
The InChIKey is PGRCVWFOGDPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-4-6-12(7-5-11)9-16-14-13(10-17)3-2-8-15-14/h2-8,17H,9-10H2,1H3,(H,15,16).
What are the key properties of [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol?
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol has a molecular weight of 228.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 82081342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).