5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol

C14H16N2O2 — CID 107706967

IUPAC5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
SMILESCc1ccc(NC(C)c2cc(O)cc(O)c2)cn1
InChIInChI=1S/C14H16N2O2/c1-9-3-4-12(8-15-9)16-10(2)11-5-13(17)7-14(18)6-11/h3-8,10,16-18H,1-2H3
InChIKeyVVMAHNKIWWDPBK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.97
Rot. Bonds3

About 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol

5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107706967) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
PubChem CID107706967
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
SMILESCc1ccc(NC(C)c2cc(O)cc(O)c2)cn1
InChIInChI=1S/C14H16N2O2/c1-9-3-4-12(8-15-9)16-10(2)11-5-13(17)7-14(18)6-11/h3-8,10,16-18H,1-2H3
InChIKeyVVMAHNKIWWDPBK-UHFFFAOYSA-N
XLogP2.97
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-methylpyridin-3-amine
CID 83069397
5-[1-(3-iodo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107705679
5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107707113
4-[1-(3,5-dihydroxyphenyl)ethylamino]benzoic acid
CID 107705412
5-[1-(3-bromo-5-methylanilino)ethyl]benzene-1,3-diol
CID 107707443
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
2-[4-[1-(3,5-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile
CID 107705213
N-(3,3-dimethylbutan-2-yl)-6-methylpyridin-3-amine
CID 115921577
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
CID 115921585
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol (CID 107706967) is 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol is Cc1ccc(NC(C)c2cc(O)cc(O)c2)cn1.
What is the InChIKey of 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is VVMAHNKIWWDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-3-4-12(8-15-9)16-10(2)11-5-13(17)7-14(18)6-11/h3-8,10,16-18H,1-2H3.
What are the key properties of 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).