3-(anilinomethyl)naphthalen-2-amine

C17H16N2 — CID 61214837

IUPAC3-(anilinomethyl)naphthalen-2-amine
SMILESNc1cc2ccccc2cc1CNc1ccccc1
InChIInChI=1S/C17H16N2/c18-17-11-14-7-5-4-6-13(14)10-15(17)12-19-16-8-2-1-3-9-16/h1-11,19H,12,18H2
InChIKeyBZCJOZQTRCPHOA-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.03
Rot. Bonds3

About 3-(anilinomethyl)naphthalen-2-amine

3-(anilinomethyl)naphthalen-2-amine (PubChem CID 61214837) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(anilinomethyl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(anilinomethyl)naphthalen-2-amine
PubChem CID61214837
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-(anilinomethyl)naphthalen-2-amine
SMILESNc1cc2ccccc2cc1CNc1ccccc1
InChIInChI=1S/C17H16N2/c18-17-11-14-7-5-4-6-13(14)10-15(17)12-19-16-8-2-1-3-9-16/h1-11,19H,12,18H2
InChIKeyBZCJOZQTRCPHOA-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
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-(anilinomethyl)naphthalen-2-amine?
The IUPAC name of 3-(anilinomethyl)naphthalen-2-amine (CID 61214837) is 3-(anilinomethyl)naphthalen-2-amine.
What is the SMILES notation for 3-(anilinomethyl)naphthalen-2-amine?
The canonical SMILES for 3-(anilinomethyl)naphthalen-2-amine is Nc1cc2ccccc2cc1CNc1ccccc1.
What is the InChIKey of 3-(anilinomethyl)naphthalen-2-amine?
The InChIKey is BZCJOZQTRCPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c18-17-11-14-7-5-4-6-13(14)10-15(17)12-19-16-8-2-1-3-9-16/h1-11,19H,12,18H2.
What are the key properties of 3-(anilinomethyl)naphthalen-2-amine?
3-(anilinomethyl)naphthalen-2-amine has a molecular weight of 248.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)naphthalen-2-amine is sourced from PubChem (CID 61214837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).