4-(naphthalen-1-ylmethylamino)benzene-1,3-diol

C17H15NO2 — CID 69009648

IUPAC4-(naphthalen-1-ylmethylamino)benzene-1,3-diol
SMILESOc1ccc(NCc2cccc3ccccc23)c(O)c1
InChIInChI=1S/C17H15NO2/c19-14-8-9-16(17(20)10-14)18-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18-20H,11H2
InChIKeyOYRQYJWDOWTKAW-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.86
Rot. Bonds3

About 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol

4-(naphthalen-1-ylmethylamino)benzene-1,3-diol (PubChem CID 69009648) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethylamino)benzene-1,3-diol
PubChem CID69009648
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(naphthalen-1-ylmethylamino)benzene-1,3-diol
SMILESOc1ccc(NCc2cccc3ccccc23)c(O)c1
InChIInChI=1S/C17H15NO2/c19-14-8-9-16(17(20)10-14)18-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18-20H,11H2
InChIKeyOYRQYJWDOWTKAW-UHFFFAOYSA-N
XLogP3.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.86
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

4-(naphthalen-1-ylmethylamino)phenol
CID 918435
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
4-(benzylamino)benzene-1,3-diol
CID 21321415
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
4-[(2,3-difluoroanilino)methyl]benzene-1,3-diol
CID 61075014
4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
CID 62369100
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
4-[(naphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953912
2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
CID 28993216
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol?
The IUPAC name of 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol (CID 69009648) is 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol.
What is the SMILES notation for 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol?
The canonical SMILES for 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol is Oc1ccc(NCc2cccc3ccccc23)c(O)c1.
What is the InChIKey of 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol?
The InChIKey is OYRQYJWDOWTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-14-8-9-16(17(20)10-14)18-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18-20H,11H2.
What are the key properties of 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol?
4-(naphthalen-1-ylmethylamino)benzene-1,3-diol has a molecular weight of 265.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethylamino)benzene-1,3-diol is sourced from PubChem (CID 69009648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).