N-(naphthalen-2-ylmethylideneamino)aniline

C17H14N2 — CID 4168118

IUPACN-(naphthalen-2-ylmethylideneamino)aniline
SMILESC(=NNc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H14N2/c1-2-8-17(9-3-1)19-18-13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13,19H
InChIKeyUHCIGMLKBAYFFP-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.29
Rot. Bonds3

About N-(naphthalen-2-ylmethylideneamino)aniline

N-(naphthalen-2-ylmethylideneamino)aniline (PubChem CID 4168118) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethylideneamino)aniline
PubChem CID4168118
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC NameN-(naphthalen-2-ylmethylideneamino)aniline
SMILESC(=NNc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H14N2/c1-2-8-17(9-3-1)19-18-13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13,19H
InChIKeyUHCIGMLKBAYFFP-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethylideneamino)aniline?
The IUPAC name of N-(naphthalen-2-ylmethylideneamino)aniline (CID 4168118) is N-(naphthalen-2-ylmethylideneamino)aniline.
What is the SMILES notation for N-(naphthalen-2-ylmethylideneamino)aniline?
The canonical SMILES for N-(naphthalen-2-ylmethylideneamino)aniline is C(=NNc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethylideneamino)aniline?
The InChIKey is UHCIGMLKBAYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-8-17(9-3-1)19-18-13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13,19H.
What are the key properties of N-(naphthalen-2-ylmethylideneamino)aniline?
N-(naphthalen-2-ylmethylideneamino)aniline has a molecular weight of 246.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethylideneamino)aniline is sourced from PubChem (CID 4168118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).