1-(4-chlorophenyl)-N-ethylmethanimine

C9H10ClN — CID 12927004

IUPAC1-(4-chlorophenyl)-N-ethylmethanimine
SMILESCC/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-7H,2H2,1H3/b11-7+
InChIKeyJLDKBPQEQYYOMN-YRNVUSSQSA-N
MW167.64 g/mol
LogP2.78
Rot. Bonds2

About 1-(4-chlorophenyl)-N-ethylmethanimine

1-(4-chlorophenyl)-N-ethylmethanimine (PubChem CID 12927004) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethylmethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethylmethanimine
PubChem CID12927004
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name1-(4-chlorophenyl)-N-ethylmethanimine
SMILESCC/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-7H,2H2,1H3/b11-7+
InChIKeyJLDKBPQEQYYOMN-YRNVUSSQSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethylmethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethylmethanimine (CID 12927004) is 1-(4-chlorophenyl)-N-ethylmethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethylmethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethylmethanimine is CC/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethylmethanimine?
The InChIKey is JLDKBPQEQYYOMN-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10ClN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-7H,2H2,1H3/b11-7+.
What are the key properties of 1-(4-chlorophenyl)-N-ethylmethanimine?
1-(4-chlorophenyl)-N-ethylmethanimine has a molecular weight of 167.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethylmethanimine is sourced from PubChem (CID 12927004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).