N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine

C16H17ClN2O — CID 17245826

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C(\C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12(13-7-9-15(17)10-8-13)19-18-11-14-5-3-4-6-16(14)20-2/h3-10,18H,11H2,1-2H3/b19-12+
InChIKeyQXBFAMFQFCSJIX-XDHOZWIPSA-N
MW288.78 g/mol
LogP3.86
Rot. Bonds5

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 17245826) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID17245826
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C(\C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12(13-7-9-15(17)10-8-13)19-18-11-14-5-3-4-6-16(14)20-2/h3-10,18H,11H2,1-2H3/b19-12+
InChIKeyQXBFAMFQFCSJIX-XDHOZWIPSA-N
XLogP3.86
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.86
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

1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
CID 17245823
4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9060327
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
(2S,3S)-2,3-bis[(4-chlorobenzoyl)oxy]-4-[(2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 126384586
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518
1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
CID 99945129
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine (CID 17245826) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C(\C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is QXBFAMFQFCSJIX-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(13-7-9-15(17)10-8-13)19-18-11-14-5-3-4-6-16(14)20-2/h3-10,18H,11H2,1-2H3/b19-12+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 288.78 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17245826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).