4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol

C14H16N2O2 — CID 114954745

IUPAC4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
SMILESCc1ccncc1CNCc1ccc(O)cc1O
InChIInChI=1S/C14H16N2O2/c1-10-4-5-15-8-12(10)9-16-7-11-2-3-13(17)6-14(11)18/h2-6,8,16-18H,7,9H2,1H3
InChIKeyORKGEZNHYSYKGV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds4

About 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol

4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol (PubChem CID 114954745) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
PubChem CID114954745
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
SMILESCc1ccncc1CNCc1ccc(O)cc1O
InChIInChI=1S/C14H16N2O2/c1-10-4-5-15-8-12(10)9-16-7-11-2-3-13(17)6-14(11)18/h2-6,8,16-18H,7,9H2,1H3
InChIKeyORKGEZNHYSYKGV-UHFFFAOYSA-N
XLogP2.09
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
4-[(pyridin-4-ylmethylamino)methyl]benzene-1,3-diol
CID 28669626
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
CID 107741125
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 114955437
2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954865
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955011
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol (CID 114954745) is 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol is Cc1ccncc1CNCc1ccc(O)cc1O.
What is the InChIKey of 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The InChIKey is ORKGEZNHYSYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-4-5-15-8-12(10)9-16-7-11-2-3-13(17)6-14(11)18/h2-6,8,16-18H,7,9H2,1H3.
What are the key properties of 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 114954745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).