3-(3-chloro-2-fluorophenyl)propan-1-amine

C9H11ClFN — CID 53434310

IUPAC3-(3-chloro-2-fluorophenyl)propan-1-amine
SMILESNCCCc1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFN/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6,12H2
InChIKeySTEDNTFBRFLBLM-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.37
Rot. Bonds3

About 3-(3-chloro-2-fluorophenyl)propan-1-amine

3-(3-chloro-2-fluorophenyl)propan-1-amine (PubChem CID 53434310) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)propan-1-amine
PubChem CID53434310
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name3-(3-chloro-2-fluorophenyl)propan-1-amine
SMILESNCCCc1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFN/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6,12H2
InChIKeySTEDNTFBRFLBLM-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(3-chloro-2-methylphenyl)butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)propan-1-amine (CID 53434310) is 3-(3-chloro-2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)propan-1-amine is NCCCc1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)propan-1-amine?
The InChIKey is STEDNTFBRFLBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6,12H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)propan-1-amine?
3-(3-chloro-2-fluorophenyl)propan-1-amine has a molecular weight of 187.65 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 53434310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).