2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline

C15H15ClN2O — CID 84921584

IUPAC2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
SMILESCOc1ccc(C(C)=NNc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-7-9-13(19-2)10-8-12)17-18-15-6-4-3-5-14(15)16/h3-10,18H,1-2H3
InChIKeyPQECDZYBKSWJNA-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.18
Rot. Bonds4

About 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline

2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline (PubChem CID 84921584) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
PubChem CID84921584
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
SMILESCOc1ccc(C(C)=NNc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-7-9-13(19-2)10-8-12)17-18-15-6-4-3-5-14(15)16/h3-10,18H,1-2H3
InChIKeyPQECDZYBKSWJNA-UHFFFAOYSA-N
XLogP4.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.18
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

4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 6382777
5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
CID 141416558
2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
CID 137318860
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline?
The IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline (CID 84921584) is 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline is COc1ccc(C(C)=NNc2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline?
The InChIKey is PQECDZYBKSWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(12-7-9-13(19-2)10-8-12)17-18-15-6-4-3-5-14(15)16/h3-10,18H,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline?
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline has a molecular weight of 274.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline is sourced from PubChem (CID 84921584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).