4-(benzylamino)benzene-1,3-diol

C13H13NO2 — CID 21321415

IUPAC4-(benzylamino)benzene-1,3-diol
SMILESOc1ccc(NCc2ccccc2)c(O)c1
InChIInChI=1S/C13H13NO2/c15-11-6-7-12(13(16)8-11)14-9-10-4-2-1-3-5-10/h1-8,14-16H,9H2
InChIKeyDCYBPNKGTJLPMD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.71
Rot. Bonds3

About 4-(benzylamino)benzene-1,3-diol

4-(benzylamino)benzene-1,3-diol (PubChem CID 21321415) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(benzylamino)benzene-1,3-diol.

Molecular Properties

Compound Name4-(benzylamino)benzene-1,3-diol
PubChem CID21321415
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(benzylamino)benzene-1,3-diol
SMILESOc1ccc(NCc2ccccc2)c(O)c1
InChIInChI=1S/C13H13NO2/c15-11-6-7-12(13(16)8-11)14-9-10-4-2-1-3-5-10/h1-8,14-16H,9H2
InChIKeyDCYBPNKGTJLPMD-UHFFFAOYSA-N
XLogP2.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(2,4-dihydroxyphenyl)urea
CID 69011055
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
4-(naphthalen-1-ylmethylamino)benzene-1,3-diol
CID 69009648
2-(benzylamino)-4-hydroxybenzaldehyde
CID 18624476
N-benzyl-2,4-dihydroxybenzenecarbothioamide
CID 135513653
4-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 135541441
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
4-(benzylamino)phenol;hydrochloride
CID 16738613
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
2-(benzylamino)quinolin-7-ol
CID 137043038
1-(2,4-dihydroxyphenyl)-3-phenylthiourea
CID 87654252
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)benzene-1,3-diol?
The IUPAC name of 4-(benzylamino)benzene-1,3-diol (CID 21321415) is 4-(benzylamino)benzene-1,3-diol.
What is the SMILES notation for 4-(benzylamino)benzene-1,3-diol?
The canonical SMILES for 4-(benzylamino)benzene-1,3-diol is Oc1ccc(NCc2ccccc2)c(O)c1.
What is the InChIKey of 4-(benzylamino)benzene-1,3-diol?
The InChIKey is DCYBPNKGTJLPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-11-6-7-12(13(16)8-11)14-9-10-4-2-1-3-5-10/h1-8,14-16H,9H2.
What are the key properties of 4-(benzylamino)benzene-1,3-diol?
4-(benzylamino)benzene-1,3-diol has a molecular weight of 215.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)benzene-1,3-diol is sourced from PubChem (CID 21321415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).