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

C18H22N2O3 — CID 99945129

IUPAC1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
SMILESCOc1ccc(/C(C)=N\NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-13(15-6-8-16(21-2)9-7-15)20-19-12-14-5-10-17(22-3)18(11-14)23-4/h5-11,19H,12H2,1-4H3/b20-13-
InChIKeyANRKKGKSMXBOAA-MOSHPQCFSA-N
MW314.39 g/mol
LogP3.23
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine (PubChem CID 99945129) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
PubChem CID99945129
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
SMILESCOc1ccc(/C(C)=N\NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-13(15-6-8-16(21-2)9-7-15)20-19-12-14-5-10-17(22-3)18(11-14)23-4/h5-11,19H,12H2,1-4H3/b20-13-
InChIKeyANRKKGKSMXBOAA-MOSHPQCFSA-N
XLogP3.23
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945117
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
CID 133169032
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
CID 137318860
1-(3,4-dimethoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
CID 133169027
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]methanamine
CID 133168860
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169356
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
1-(3,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 3327700
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)thiourea
CID 3659335

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine (CID 99945129) is 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine is COc1ccc(/C(C)=N\NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine?
The InChIKey is ANRKKGKSMXBOAA-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(15-6-8-16(21-2)9-7-15)20-19-12-14-5-10-17(22-3)18(11-14)23-4/h5-11,19H,12H2,1-4H3/b20-13-.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine has a molecular weight of 314.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine is sourced from PubChem (CID 99945129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).