4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline

C24H19ClN2O — CID 110840761

IUPAC4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
SMILESClc1ccc(NN=Cc2c(OCc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C24H19ClN2O/c25-20-11-13-21(14-12-20)27-26-16-23-22-9-5-4-8-19(22)10-15-24(23)28-17-18-6-2-1-3-7-18/h1-16,27H,17H2
InChIKeyLJDQFKJFEYKHLJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP6.52
Rot. Bonds6

About 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline

4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline (PubChem CID 110840761) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
PubChem CID110840761
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
SMILESClc1ccc(NN=Cc2c(OCc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C24H19ClN2O/c25-20-11-13-21(14-12-20)27-26-16-23-22-9-5-4-8-19(22)10-15-24(23)28-17-18-6-2-1-3-7-18/h1-16,27H,17H2
InChIKeyLJDQFKJFEYKHLJ-UHFFFAOYSA-N
XLogP6.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841844
[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6031687
N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6310139
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]methanamine
CID 92658541
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6151114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline (CID 110840761) is 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline is Clc1ccc(NN=Cc2c(OCc3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline?
The InChIKey is LJDQFKJFEYKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c25-20-11-13-21(14-12-20)27-26-16-23-22-9-5-4-8-19(22)10-15-24(23)28-17-18-6-2-1-3-7-18/h1-16,27H,17H2.
What are the key properties of 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline?
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline has a molecular weight of 386.88 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline is sourced from PubChem (CID 110840761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).