3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol

C13H14N2O — CID 82674382

IUPAC3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1ccnc(NCc2cccc(O)c2)c1
InChIInChI=1S/C13H14N2O/c1-10-5-6-14-13(7-10)15-9-11-3-2-4-12(16)8-11/h2-8,16H,9H2,1H3,(H,14,15)
InChIKeyPLVWLPFDXJKBDN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.71
Rot. Bonds3

About 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol

3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (PubChem CID 82674382) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
PubChem CID82674382
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1ccnc(NCc2cccc(O)c2)c1
InChIInChI=1S/C13H14N2O/c1-10-5-6-14-13(7-10)15-9-11-3-2-4-12(16)8-11/h2-8,16H,9H2,1H3,(H,14,15)
InChIKeyPLVWLPFDXJKBDN-UHFFFAOYSA-N
XLogP2.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 107233111
4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 166321015
3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 167800163
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (CID 82674382) is 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is Cc1ccnc(NCc2cccc(O)c2)c1.
What is the InChIKey of 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is PLVWLPFDXJKBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-5-6-14-13(7-10)15-9-11-3-2-4-12(16)8-11/h2-8,16H,9H2,1H3,(H,14,15).
What are the key properties of 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 82674382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).