N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline

C16H16Cl2N2O — CID 110505520

IUPACN-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
SMILESCCOc1c(Cl)cc(/C=N/Nc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-3-21-16-14(17)8-12(9-15(16)18)10-19-20-13-6-4-11(2)5-7-13/h4-10,20H,3H2,1-2H3/b19-10+
InChIKeyZBVIKMPTCKLIRN-VXLYETTFSA-N
MW323.22 g/mol
LogP5.15
Rot. Bonds5

About N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline

N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 110505520) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
PubChem CID110505520
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
SMILESCCOc1c(Cl)cc(/C=N/Nc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-3-21-16-14(17)8-12(9-15(16)18)10-19-20-13-6-4-11(2)5-7-13/h4-10,20H,3H2,1-2H3/b19-10+
InChIKeyZBVIKMPTCKLIRN-VXLYETTFSA-N
XLogP5.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.15
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-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504886
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 169383336
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
1-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508576
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
CID 9059368
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline (CID 110505520) is N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline is CCOc1c(Cl)cc(/C=N/Nc2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is ZBVIKMPTCKLIRN-VXLYETTFSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-3-21-16-14(17)8-12(9-15(16)18)10-19-20-13-6-4-11(2)5-7-13/h4-10,20H,3H2,1-2H3/b19-10+.
What are the key properties of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline?
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 323.22 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 110505520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).