4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline

C14H13ClN2O — CID 6039308

IUPAC4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
SMILESCOc1cccc(/C=N\Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O/c1-18-14-4-2-3-11(9-14)10-16-17-13-7-5-12(15)6-8-13/h2-10,17H,1H3/b16-10-
InChIKeyBKRXCFLVOMVQIX-YBEGLDIGSA-N
MW260.72 g/mol
LogP3.79
Rot. Bonds4

About 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline

4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline (PubChem CID 6039308) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
PubChem CID6039308
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
SMILESCOc1cccc(/C=N\Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O/c1-18-14-4-2-3-11(9-14)10-16-17-13-7-5-12(15)6-8-13/h2-10,17H,1H3/b16-10-
InChIKeyBKRXCFLVOMVQIX-YBEGLDIGSA-N
XLogP3.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.79
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-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
sodium 4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 126465894
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 126067611
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline (CID 6039308) is 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline is COc1cccc(/C=N\Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline?
The InChIKey is BKRXCFLVOMVQIX-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-18-14-4-2-3-11(9-14)10-16-17-13-7-5-12(15)6-8-13/h2-10,17H,1H3/b16-10-.
What are the key properties of 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline?
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline has a molecular weight of 260.72 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 6039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).