N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

C17H19ClN2O2 — CID 99945117

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C(/C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H19ClN2O2/c1-12(14-5-7-15(18)8-6-14)20-19-11-13-4-9-16(21-2)17(10-13)22-3/h4-10,19H,11H2,1-3H3/b20-12-
InChIKeyIDIDXFDCCHBFKO-NDENLUEZSA-N
MW318.80 g/mol
LogP3.87
Rot. Bonds6

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (PubChem CID 99945117) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
PubChem CID99945117
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C(/C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H19ClN2O2/c1-12(14-5-7-15(18)8-6-14)20-19-11-13-4-9-16(21-2)17(10-13)22-3/h4-10,19H,11H2,1-3H3/b20-12-
InChIKeyIDIDXFDCCHBFKO-NDENLUEZSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
CID 99945129
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169356
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245826
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]methanamine
CID 133168860
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
CID 133169032
1-(3,4-dimethoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
CID 133169027
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
CID 137318860
4-[[4-[(4-chloroanilino)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 3588361

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (CID 99945117) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is COc1ccc(CN/N=C(/C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is IDIDXFDCCHBFKO-NDENLUEZSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(14-5-7-15(18)8-6-14)20-19-11-13-4-9-16(21-2)17(10-13)22-3/h4-10,19H,11H2,1-3H3/b20-12-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 318.80 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 99945117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).