2-(3-chlorophenyl)-2-fluoropentan-1-amine

C11H15ClFN — CID 112567951

IUPAC2-(3-chlorophenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-2-6-11(13,8-14)9-4-3-5-10(12)7-9/h3-5,7H,2,6,8,14H2,1H3
InChIKeySHBRHXYTSNKDCA-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.26
Rot. Bonds4

About 2-(3-chlorophenyl)-2-fluoropentan-1-amine

2-(3-chlorophenyl)-2-fluoropentan-1-amine (PubChem CID 112567951) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-fluoropentan-1-amine
PubChem CID112567951
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(3-chlorophenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-2-6-11(13,8-14)9-4-3-5-10(12)7-9/h3-5,7H,2,6,8,14H2,1H3
InChIKeySHBRHXYTSNKDCA-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 112567781
2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine
CID 112567938
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
3-(3-chlorophenyl)-3-fluoropentanamide
CID 68878178
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
2-(4-ethylphenyl)-2-fluoropentan-1-amine
CID 112567836
2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66146188
3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 105475062
2-fluoro-2-phenyldodecan-1-amine
CID 115918070
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-2-fluoropentan-1-amine (CID 112567951) is 2-(3-chlorophenyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-2-fluoropentan-1-amine is CCCC(F)(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-fluoropentan-1-amine?
The InChIKey is SHBRHXYTSNKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-2-6-11(13,8-14)9-4-3-5-10(12)7-9/h3-5,7H,2,6,8,14H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-fluoropentan-1-amine?
2-(3-chlorophenyl)-2-fluoropentan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-fluoropentan-1-amine is sourced from PubChem (CID 112567951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).