4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline

C23H18N2 — CID 2185271

IUPAC4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline
SMILESC(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc2ccccc2c1
InChIInChI=1S/C23H18N2/c1-2-8-22(9-3-1)25-23-14-12-21(13-15-23)24-17-18-10-11-19-6-4-5-7-20(19)16-18/h1-17,25H/b24-17+
InChIKeyMLOKWEYJRZXPOH-JJIBRWJFSA-N
MW322.41 g/mol
LogP6.33
Rot. Bonds4

About 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline

4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline (PubChem CID 2185271) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline
PubChem CID2185271
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline
SMILESC(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc2ccccc2c1
InChIInChI=1S/C23H18N2/c1-2-8-22(9-3-1)25-23-14-12-21(13-15-23)24-17-18-10-11-19-6-4-5-7-20(19)16-18/h1-17,25H/b24-17+
InChIKeyMLOKWEYJRZXPOH-JJIBRWJFSA-N
XLogP6.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline?
The IUPAC name of 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline (CID 2185271) is 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline.
What is the SMILES notation for 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline?
The canonical SMILES for 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline is C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline?
The InChIKey is MLOKWEYJRZXPOH-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H18N2/c1-2-8-22(9-3-1)25-23-14-12-21(13-15-23)24-17-18-10-11-19-6-4-5-7-20(19)16-18/h1-17,25H/b24-17+.
What are the key properties of 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline?
4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline has a molecular weight of 322.41 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethylideneamino)-N-phenylaniline is sourced from PubChem (CID 2185271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).