4-(naphthalen-1-ylmethylamino)phenol

C17H15NO — CID 918435

IUPAC4-(naphthalen-1-ylmethylamino)phenol
SMILESOc1ccc(NCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO/c19-16-10-8-15(9-11-16)18-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11,18-19H,12H2
InChIKeyHGAUOHWLZURBSZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.16
Rot. Bonds3

About 4-(naphthalen-1-ylmethylamino)phenol

4-(naphthalen-1-ylmethylamino)phenol (PubChem CID 918435) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethylamino)phenol.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethylamino)phenol
PubChem CID918435
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-(naphthalen-1-ylmethylamino)phenol
SMILESOc1ccc(NCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO/c19-16-10-8-15(9-11-16)18-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11,18-19H,12H2
InChIKeyHGAUOHWLZURBSZ-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(naphthalen-1-ylmethylamino)benzene-1,3-diol
CID 69009648
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
N-(naphthalen-1-ylmethyl)thiophen-3-amine
CID 66351259
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one
CID 11347662
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
4-(benzylamino)phenol;hydrochloride
CID 16738613
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
CID 107364306
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethylamino)phenol?
The IUPAC name of 4-(naphthalen-1-ylmethylamino)phenol (CID 918435) is 4-(naphthalen-1-ylmethylamino)phenol.
What is the SMILES notation for 4-(naphthalen-1-ylmethylamino)phenol?
The canonical SMILES for 4-(naphthalen-1-ylmethylamino)phenol is Oc1ccc(NCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(naphthalen-1-ylmethylamino)phenol?
The InChIKey is HGAUOHWLZURBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-16-10-8-15(9-11-16)18-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11,18-19H,12H2.
What are the key properties of 4-(naphthalen-1-ylmethylamino)phenol?
4-(naphthalen-1-ylmethylamino)phenol has a molecular weight of 249.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethylamino)phenol is sourced from PubChem (CID 918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).