N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline

C24H20N2 — CID 53376392

IUPACN-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline
SMILESC(=N/N(Cc1ccccc1)c1ccccc1)\c1ccc2ccccc2c1
InChIInChI=1S/C24H20N2/c1-3-9-20(10-4-1)19-26(24-13-5-2-6-14-24)25-18-21-15-16-22-11-7-8-12-23(22)17-21/h1-18H,19H2/b25-18+
InChIKeyHWXMRWFCNPFXMH-XIEYBQDHSA-N
MW336.44 g/mol
LogP5.88
Rot. Bonds5

About N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline

N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline (PubChem CID 53376392) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline
PubChem CID53376392
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline
SMILESC(=N/N(Cc1ccccc1)c1ccccc1)\c1ccc2ccccc2c1
InChIInChI=1S/C24H20N2/c1-3-9-20(10-4-1)19-26(24-13-5-2-6-14-24)25-18-21-15-16-22-11-7-8-12-23(22)17-21/h1-18H,19H2/b25-18+
InChIKeyHWXMRWFCNPFXMH-XIEYBQDHSA-N
XLogP5.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11617204
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US9205085, Msx-175
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5-(4-Fluorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
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CID 71524961
2-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 619222
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CID 4231994
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(4-Anilinophenyl)(2-naphthylmethylene)amine
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5-(4-Methylphenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
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CID 14246200

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline (CID 53376392) is N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline is C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccc2ccccc2c1.
What is the InChIKey of N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline?
The InChIKey is HWXMRWFCNPFXMH-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H20N2/c1-3-9-20(10-4-1)19-26(24-13-5-2-6-14-24)25-18-21-15-16-22-11-7-8-12-23(22)17-21/h1-18H,19H2/b25-18+.
What are the key properties of N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline?
N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline has a molecular weight of 336.44 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline is sourced from PubChem (CID 53376392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).