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

C16H20N2O2 — CID 107707041

IUPAC5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
SMILESCCc1cccnc1CNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H20N2O2/c1-3-12-5-4-6-17-16(12)10-18-11(2)13-7-14(19)9-15(20)8-13/h4-9,11,18-20H,3,10H2,1-2H3
InChIKeyWXGHXZZPEIUJGI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.91
Rot. Bonds5

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

5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 107707041) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID107707041
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
SMILESCCc1cccnc1CNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H20N2O2/c1-3-12-5-4-6-17-16(12)10-18-11(2)13-7-14(19)9-15(20)8-13/h4-9,11,18-20H,3,10H2,1-2H3
InChIKeyWXGHXZZPEIUJGI-UHFFFAOYSA-N
XLogP2.91
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
3-[[[5-(4-Hydroxyphenyl)pyridin-3-yl]amino]methyl]phenol
CID 11197100
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651
2-(5-Butyl-pyridin-2-yl)-5-methyl-phenol
CID 652844
3-(3-Hydroxybenzylidene)anabaseine
CID 46702877
2-[[(6-Phenyl-3-pyridinyl)amino]methyl]phenol
CID 122182763
US9676701, 23 5-(5-((trans)-2-aminocyclopropyl)pyridin-2-yl)-2-fluorophenol hydrochloride
CID 56653329
US9676701, 48 3-(5-((trans)-2-amninocyclopropyl)pyridin-2-yl)-5-(trifluoromethyl)phenol hydrochloride
CID 56654021

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol (CID 107707041) is 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol is CCc1cccnc1CNC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is WXGHXZZPEIUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-12-5-4-6-17-16(12)10-18-11(2)13-7-14(19)9-15(20)8-13/h4-9,11,18-20H,3,10H2,1-2H3.
What are the key properties of 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol?
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 272.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).