2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride

C9H12Cl2FN — CID 75422175

IUPAC2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C9H11ClFN.ClH/c1-9(2,12)6-4-3-5-7(10)8(6)11;/h3-5H,12H2,1-2H3;1H
InChIKeyHMJZCCNYOAREIU-UHFFFAOYSA-N
MW224.11 g/mol
LogP3.09
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride

2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride (PubChem CID 75422175) has the molecular formula C9H12Cl2FN and a molecular weight of 224.11 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride
PubChem CID75422175
Molecular FormulaC9H12Cl2FN
Molecular Weight224.11 g/mol
Exact Mass223.03
IUPAC Name2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C9H11ClFN.ClH/c1-9(2,12)6-4-3-5-7(10)8(6)11;/h3-5H,12H2,1-2H3;1H
InChIKeyHMJZCCNYOAREIU-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride (CID 75422175) is 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride is CC(C)(N)c1cccc(Cl)c1F.Cl.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride?
The InChIKey is HMJZCCNYOAREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN.ClH/c1-9(2,12)6-4-3-5-7(10)8(6)11;/h3-5H,12H2,1-2H3;1H.
What are the key properties of 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride?
2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride has a molecular weight of 224.11 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 75422175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).