5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol

C15H18N2O2 — CID 107706544

IUPAC5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
SMILESCc1cccnc1CNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-3-5-16-15(10)9-17-11(2)12-6-13(18)8-14(19)7-12/h3-8,11,17-19H,9H2,1-2H3
InChIKeyJFOHBOKPYYMZDP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds4

About 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol

5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 107706544) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID107706544
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
SMILESCc1cccnc1CNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-3-5-16-15(10)9-17-11(2)12-6-13(18)8-14(19)7-12/h3-8,11,17-19H,9H2,1-2H3
InChIKeyJFOHBOKPYYMZDP-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

(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305824
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63306023
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol (CID 107706544) is 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol is Cc1cccnc1CNC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is JFOHBOKPYYMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-3-5-16-15(10)9-17-11(2)12-6-13(18)8-14(19)7-12/h3-8,11,17-19H,9H2,1-2H3.
What are the key properties of 5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
5-[1-[(3-methyl-2-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-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).