3-(naphthalen-1-yloxymethyl)aniline

C17H15NO — CID 18070637

IUPAC3-(naphthalen-1-yloxymethyl)aniline
SMILESNc1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C17H15NO/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12,18H2
InChIKeyOPMLHBFHZXOITN-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.00
Rot. Bonds3

About 3-(naphthalen-1-yloxymethyl)aniline

3-(naphthalen-1-yloxymethyl)aniline (PubChem CID 18070637) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(naphthalen-1-yloxymethyl)aniline.

Molecular Properties

Compound Name3-(naphthalen-1-yloxymethyl)aniline
PubChem CID18070637
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name3-(naphthalen-1-yloxymethyl)aniline
SMILESNc1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C17H15NO/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12,18H2
InChIKeyOPMLHBFHZXOITN-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-yloxymethyl)aniline?
The IUPAC name of 3-(naphthalen-1-yloxymethyl)aniline (CID 18070637) is 3-(naphthalen-1-yloxymethyl)aniline.
What is the SMILES notation for 3-(naphthalen-1-yloxymethyl)aniline?
The canonical SMILES for 3-(naphthalen-1-yloxymethyl)aniline is Nc1cccc(COc2cccc3ccccc23)c1.
What is the InChIKey of 3-(naphthalen-1-yloxymethyl)aniline?
The InChIKey is OPMLHBFHZXOITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12,18H2.
What are the key properties of 3-(naphthalen-1-yloxymethyl)aniline?
3-(naphthalen-1-yloxymethyl)aniline has a molecular weight of 249.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-yloxymethyl)aniline is sourced from PubChem (CID 18070637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).