2-(3-chloro-5-fluorophenyl)-N-methylethanamine

C9H11ClFN — CID 69387245

IUPAC2-(3-chloro-5-fluorophenyl)-N-methylethanamine
SMILESCNCCc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H11ClFN/c1-12-3-2-7-4-8(10)6-9(11)5-7/h4-6,12H,2-3H2,1H3
InChIKeyVUQSYYFWKKXIHH-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-N-methylethanamine

2-(3-chloro-5-fluorophenyl)-N-methylethanamine (PubChem CID 69387245) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N-methylethanamine
PubChem CID69387245
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(3-chloro-5-fluorophenyl)-N-methylethanamine
SMILESCNCCc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H11ClFN/c1-12-3-2-7-4-8(10)6-9(11)5-7/h4-6,12H,2-3H2,1H3
InChIKeyVUQSYYFWKKXIHH-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-methylethanamine (CID 69387245) is 2-(3-chloro-5-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N-methylethanamine is CNCCc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N-methylethanamine?
The InChIKey is VUQSYYFWKKXIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-12-3-2-7-4-8(10)6-9(11)5-7/h4-6,12H,2-3H2,1H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N-methylethanamine?
2-(3-chloro-5-fluorophenyl)-N-methylethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 69387245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).