2-(2-chlorophenyl)-N-methylethanimine

C9H10ClN — CID 143112738

IUPAC2-(2-chlorophenyl)-N-methylethanimine
SMILESC/N=C/Cc1ccccc1Cl
InChIInChI=1S/C9H10ClN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3/b11-7+
InChIKeyYTKQSRQMJISJEH-YRNVUSSQSA-N
MW167.64 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-chlorophenyl)-N-methylethanimine

2-(2-chlorophenyl)-N-methylethanimine (PubChem CID 143112738) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methylethanimine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methylethanimine
PubChem CID143112738
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-(2-chlorophenyl)-N-methylethanimine
SMILESC/N=C/Cc1ccccc1Cl
InChIInChI=1S/C9H10ClN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3/b11-7+
InChIKeyYTKQSRQMJISJEH-YRNVUSSQSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyliminoethyl)phenol
CID 15310524
(E)-4-(2-chlorophenyl)but-2-en-1-amine
CID 105439817
1-(2-chlorophenyl)-N-methyl-3-methyliminopropan-2-amine
CID 57464353
5-(2-chlorophenyl)pent-3-en-1-ol
CID 123893185
dichloro-bis[(2-chlorophenyl)methyl]stannane
CID 71347679
CID 88515237
CID 88515237
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
(Z)-5-(2-chlorophenyl)pent-3-enoic acid
CID 117267940
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methylethanimine?
The IUPAC name of 2-(2-chlorophenyl)-N-methylethanimine (CID 143112738) is 2-(2-chlorophenyl)-N-methylethanimine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methylethanimine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methylethanimine is C/N=C/Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methylethanimine?
The InChIKey is YTKQSRQMJISJEH-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10ClN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3/b11-7+.
What are the key properties of 2-(2-chlorophenyl)-N-methylethanimine?
2-(2-chlorophenyl)-N-methylethanimine has a molecular weight of 167.64 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methylethanimine is sourced from PubChem (CID 143112738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).