2-(3-chlorophenyl)-N-methylethanamine

C9H12ClN — CID 10583272

IUPAC2-(3-chlorophenyl)-N-methylethanamine
SMILESCNCCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChIKeyZAIUACXHBBABJZ-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.10
Rot. Bonds3

About 2-(3-chlorophenyl)-N-methylethanamine

2-(3-chlorophenyl)-N-methylethanamine (PubChem CID 10583272) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methylethanamine
PubChem CID10583272
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2-(3-chlorophenyl)-N-methylethanamine
SMILESCNCCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChIKeyZAIUACXHBBABJZ-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-methylethanamine (CID 10583272) is 2-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methylethanamine is CNCCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is ZAIUACXHBBABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methylethanamine?
2-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 169.66 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 10583272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).