2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine

C15H22FN — CID 141045888

IUPAC2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine
SMILESCC1CCCC1(c1ccccc1F)C(C)(C)N
InChIInChI=1S/C15H22FN/c1-11-7-6-10-15(11,14(2,3)17)12-8-4-5-9-13(12)16/h4-5,8-9,11H,6-7,10,17H2,1-3H3
InChIKeyXHQMEJQIZFZHOC-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.62
Rot. Bonds2

About 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine

2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine (PubChem CID 141045888) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine
PubChem CID141045888
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine
SMILESCC1CCCC1(c1ccccc1F)C(C)(C)N
InChIInChI=1S/C15H22FN/c1-11-7-6-10-15(11,14(2,3)17)12-8-4-5-9-13(12)16/h4-5,8-9,11H,6-7,10,17H2,1-3H3
InChIKeyXHQMEJQIZFZHOC-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine?
The IUPAC name of 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine (CID 141045888) is 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine?
The canonical SMILES for 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine is CC1CCCC1(c1ccccc1F)C(C)(C)N.
What is the InChIKey of 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine?
The InChIKey is XHQMEJQIZFZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-7-6-10-15(11,14(2,3)17)12-8-4-5-9-13(12)16/h4-5,8-9,11H,6-7,10,17H2,1-3H3.
What are the key properties of 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine?
2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine is sourced from PubChem (CID 141045888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).