2-(2-chloro-5-fluorophenyl)propan-2-amine

C9H11ClFN — CID 82405244

IUPAC2-(2-chloro-5-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(F)ccc1Cl
InChIInChI=1S/C9H11ClFN/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5H,12H2,1-2H3
InChIKeyKNIXLPGFNBDTNF-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.67
Rot. Bonds1

About 2-(2-chloro-5-fluorophenyl)propan-2-amine

2-(2-chloro-5-fluorophenyl)propan-2-amine (PubChem CID 82405244) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)propan-2-amine
PubChem CID82405244
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(2-chloro-5-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(F)ccc1Cl
InChIInChI=1S/C9H11ClFN/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5H,12H2,1-2H3
InChIKeyKNIXLPGFNBDTNF-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)propan-2-amine (CID 82405244) is 2-(2-chloro-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)propan-2-amine is CC(C)(N)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)propan-2-amine?
The InChIKey is KNIXLPGFNBDTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5H,12H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)propan-2-amine?
2-(2-chloro-5-fluorophenyl)propan-2-amine has a molecular weight of 187.65 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 82405244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).