3-(2-chloro-5-fluorophenyl)pentan-3-amine

C11H15ClFN — CID 105394104

IUPAC3-(2-chloro-5-fluorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-11(14,4-2)9-7-8(13)5-6-10(9)12/h5-7H,3-4,14H2,1-2H3
InChIKeyPLLUUTFBQKHUNH-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.45
Rot. Bonds3

About 3-(2-chloro-5-fluorophenyl)pentan-3-amine

3-(2-chloro-5-fluorophenyl)pentan-3-amine (PubChem CID 105394104) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)pentan-3-amine
PubChem CID105394104
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(2-chloro-5-fluorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-11(14,4-2)9-7-8(13)5-6-10(9)12/h5-7H,3-4,14H2,1-2H3
InChIKeyPLLUUTFBQKHUNH-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dichlorophenyl)pentan-3-amine
CID 62791781
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
CID 105396365
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112
3-(2-chlorophenyl)pentan-3-amine
CID 61029804
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
CID 164667498

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)pentan-3-amine?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)pentan-3-amine (CID 105394104) is 3-(2-chloro-5-fluorophenyl)pentan-3-amine.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)pentan-3-amine?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)pentan-3-amine is CCC(N)(CC)c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)pentan-3-amine?
The InChIKey is PLLUUTFBQKHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-11(14,4-2)9-7-8(13)5-6-10(9)12/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)pentan-3-amine?
3-(2-chloro-5-fluorophenyl)pentan-3-amine has a molecular weight of 215.70 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)pentan-3-amine is sourced from PubChem (CID 105394104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).