5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol

C15H18N2O2 — CID 107707313

IUPAC5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
SMILESCc1cnccc1CNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H18N2O2/c1-10-8-16-4-3-12(10)9-17-11(2)13-5-14(18)7-15(19)6-13/h3-8,11,17-19H,9H2,1-2H3
InChIKeyOXMKKHHMQVZFBL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds4

About 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol

5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 107707313) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID107707313
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
SMILESCc1cnccc1CNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H18N2O2/c1-10-8-16-4-3-12(10)9-17-11(2)13-5-14(18)7-15(19)6-13/h3-8,11,17-19H,9H2,1-2H3
InChIKeyOXMKKHHMQVZFBL-UHFFFAOYSA-N
XLogP2.65
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 114698972
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699190
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol (CID 107707313) is 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol is Cc1cnccc1CNC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is OXMKKHHMQVZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-8-16-4-3-12(10)9-17-11(2)13-5-14(18)7-15(19)6-13/h3-8,11,17-19H,9H2,1-2H3.
What are the key properties of 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).