3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine

C11H15ClFN — CID 105469303

IUPAC3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine
SMILESCC(CN)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C11H15ClFN/c1-8(7-14)11(2,13)9-5-3-4-6-10(9)12/h3-6,8H,7,14H2,1-2H3
InChIKeyBSOLTQPBQQSFGE-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.12
Rot. Bonds3

About 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine

3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine (PubChem CID 105469303) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine
PubChem CID105469303
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine
SMILESCC(CN)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C11H15ClFN/c1-8(7-14)11(2,13)9-5-3-4-6-10(9)12/h3-6,8H,7,14H2,1-2H3
InChIKeyBSOLTQPBQQSFGE-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine (CID 105469303) is 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine is CC(CN)C(C)(F)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine?
The InChIKey is BSOLTQPBQQSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8(7-14)11(2,13)9-5-3-4-6-10(9)12/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine?
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine is sourced from PubChem (CID 105469303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).