3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline

C15H15ClN2O — CID 110505388

IUPAC3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
SMILESCOc1ccc(N/N=C/c2ccccc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O/c1-11-5-3-4-6-12(11)10-17-18-13-7-8-15(19-2)14(16)9-13/h3-10,18H,1-2H3/b17-10+
InChIKeyXZYBLXPLUZGXFO-LICLKQGHSA-N
MW274.75 g/mol
LogP4.10
Rot. Bonds4

About 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline

3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline (PubChem CID 110505388) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
PubChem CID110505388
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
SMILESCOc1ccc(N/N=C/c2ccccc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O/c1-11-5-3-4-6-12(11)10-17-18-13-7-8-15(19-2)14(16)9-13/h3-10,18H,1-2H3/b17-10+
InChIKeyXZYBLXPLUZGXFO-LICLKQGHSA-N
XLogP4.10
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 ≤ 54.10
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

3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
3-chloro-4-methoxy-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110505378
3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane
CID 143225818
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110842502
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
3-chloro-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842416
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110517043
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline (CID 110505388) is 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline is COc1ccc(N/N=C/c2ccccc2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline?
The InChIKey is XZYBLXPLUZGXFO-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-5-3-4-6-12(11)10-17-18-13-7-8-15(19-2)14(16)9-13/h3-10,18H,1-2H3/b17-10+.
What are the key properties of 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline?
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline has a molecular weight of 274.75 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 110505388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).