1-(2-chlorophenyl)-N-methylethanamine

C9H12ClN — CID 16783514

IUPAC1-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(C)c1ccccc1Cl
InChIInChI=1S/C9H12ClN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
InChIKeyUEVNECVWVMFIRG-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.62
Rot. Bonds2

About 1-(2-chlorophenyl)-N-methylethanamine

1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 16783514) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methylethanamine
PubChem CID16783514
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name1-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(C)c1ccccc1Cl
InChIInChI=1S/C9H12ClN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
InChIKeyUEVNECVWVMFIRG-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methylethanamine (CID 16783514) is 1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methylethanamine is CNC(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is UEVNECVWVMFIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methylethanamine?
1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 169.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 16783514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).