1-(3-chlorophenyl)-N-methylmethanimine

C8H8ClN — CID 522950

IUPAC1-(3-chlorophenyl)-N-methylmethanimine
SMILESC/N=C/c1cccc(Cl)c1
InChIInChI=1S/C8H8ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-6H,1H3/b10-6+
InChIKeyBTELTMOUGNRYRO-UXBLZVDNSA-N
MW153.61 g/mol
LogP2.39
Rot. Bonds1

About 1-(3-chlorophenyl)-N-methylmethanimine

1-(3-chlorophenyl)-N-methylmethanimine (PubChem CID 522950) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methylmethanimine
PubChem CID522950
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name1-(3-chlorophenyl)-N-methylmethanimine
SMILESC/N=C/c1cccc(Cl)c1
InChIInChI=1S/C8H8ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-6H,1H3/b10-6+
InChIKeyBTELTMOUGNRYRO-UXBLZVDNSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.39
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-(3-chlorophenyl)-N-methylmethanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-methylmethanimine (CID 522950) is 1-(3-chlorophenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methylmethanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methylmethanimine is C/N=C/c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methylmethanimine?
The InChIKey is BTELTMOUGNRYRO-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-6H,1H3/b10-6+.
What are the key properties of 1-(3-chlorophenyl)-N-methylmethanimine?
1-(3-chlorophenyl)-N-methylmethanimine has a molecular weight of 153.61 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methylmethanimine is sourced from PubChem (CID 522950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).