5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol

C15H17NO3 — CID 107707113

IUPAC5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(CO)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H17NO3/c1-10(12-6-14(18)8-15(19)7-12)16-13-4-2-11(9-17)3-5-13/h2-8,10,16-19H,9H2,1H3
InChIKeyLGTIPMNPNMQUJE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.76
Rot. Bonds4

About 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol

5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol (PubChem CID 107707113) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
PubChem CID107707113
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(CO)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H17NO3/c1-10(12-6-14(18)8-15(19)7-12)16-13-4-2-11(9-17)3-5-13/h2-8,10,16-19H,9H2,1H3
InChIKeyLGTIPMNPNMQUJE-UHFFFAOYSA-N
XLogP2.76
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
4-[1-(3,5-dihydroxyphenyl)ethylamino]benzoic acid
CID 107705412
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107706967
2-[4-[1-(3,5-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile
CID 107705213
5-[1-(3-iodo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107705679
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol (CID 107707113) is 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol is CC(Nc1ccc(CO)cc1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol?
The InChIKey is LGTIPMNPNMQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(12-6-14(18)8-15(19)7-12)16-13-4-2-11(9-17)3-5-13/h2-8,10,16-19H,9H2,1H3.
What are the key properties of 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol?
5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol has a molecular weight of 259.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).