N-(naphthalen-1-ylmethoxy)aniline

C17H15NO — CID 19047704

IUPACN-(naphthalen-1-ylmethoxy)aniline
SMILESc1ccc(NOCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO/c1-2-10-16(11-3-1)18-19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12,18H,13H2
InChIKeyRSOUMCKFQQYTGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.38
Rot. Bonds4

About N-(naphthalen-1-ylmethoxy)aniline

N-(naphthalen-1-ylmethoxy)aniline (PubChem CID 19047704) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethoxy)aniline.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethoxy)aniline
PubChem CID19047704
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC NameN-(naphthalen-1-ylmethoxy)aniline
SMILESc1ccc(NOCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO/c1-2-10-16(11-3-1)18-19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12,18H,13H2
InChIKeyRSOUMCKFQQYTGT-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyloxyaniline
CID 12589378
N-Benzoxy-2-naphthalenemethanamine
CID 53308533
N-Benzoxy-1-naphthalenemethanamine
CID 53308547
N-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]aniline
CID 176118625
N-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 176400936
(3-Amino-2-phenylnaphthalen-1-yl)methanol
CID 11807045
Anthracen-9-ylmethoxy(phenyl)diazene
CID 91405992
2-(2-iodo-6-methylphenyl)-3-methyl-N-phenylmethoxyaniline
CID 146168070
1-(2-Amino-5-fluorophenyl)-2-naphthalen-1-ylethanol
CID 82682709
(2-Amino-5-fluorophenyl)-naphthalen-1-ylmethanol
CID 82685874
N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine
CID 144886367
Niosh/QM2826500
CID 156008927

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethoxy)aniline?
The IUPAC name of N-(naphthalen-1-ylmethoxy)aniline (CID 19047704) is N-(naphthalen-1-ylmethoxy)aniline.
What is the SMILES notation for N-(naphthalen-1-ylmethoxy)aniline?
The canonical SMILES for N-(naphthalen-1-ylmethoxy)aniline is c1ccc(NOCc2cccc3ccccc23)cc1.
What is the InChIKey of N-(naphthalen-1-ylmethoxy)aniline?
The InChIKey is RSOUMCKFQQYTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-10-16(11-3-1)18-19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12,18H,13H2.
What are the key properties of N-(naphthalen-1-ylmethoxy)aniline?
N-(naphthalen-1-ylmethoxy)aniline has a molecular weight of 249.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethoxy)aniline is sourced from PubChem (CID 19047704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).