3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine

C14H19ClFN — CID 102616772

IUPAC3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
SMILESNC(CCc1cc(F)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H19ClFN/c15-13-7-6-12(16)9-11(13)5-8-14(17)10-3-1-2-4-10/h6-7,9-10,14H,1-5,8,17H2
InChIKeyOKXQBQFUHKQXKG-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine

3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine (PubChem CID 102616772) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
PubChem CID102616772
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
SMILESNC(CCc1cc(F)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H19ClFN/c15-13-7-6-12(16)9-11(13)5-8-14(17)10-3-1-2-4-10/h6-7,9-10,14H,1-5,8,17H2
InChIKeyOKXQBQFUHKQXKG-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102622536
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
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N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
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1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
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CID 120966307
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
CID 64505589
6-(2-chloro-5-fluorophenyl)-2-methylhexan-3-amine
CID 102620442
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine (CID 102616772) is 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine is NC(CCc1cc(F)ccc1Cl)C1CCCC1.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine?
The InChIKey is OKXQBQFUHKQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-13-7-6-12(16)9-11(13)5-8-14(17)10-3-1-2-4-10/h6-7,9-10,14H,1-5,8,17H2.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine?
3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.93, 4 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)-1-cyclopentylpropan-1-amine is sourced from PubChem (CID 102616772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).