2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol

C15H23NO — CID 117112780

IUPAC2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C15H23NO/c1-14(2,11-17)12-6-5-7-13(10-12)15(16)8-3-4-9-15/h5-7,10,17H,3-4,8-9,11,16H2,1-2H3
InChIKeyJDRKJOMSKMBZBP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol

2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117112780) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
PubChem CID117112780
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C15H23NO/c1-14(2,11-17)12-6-5-7-13(10-12)15(16)8-3-4-9-15/h5-7,10,17H,3-4,8-9,11,16H2,1-2H3
InChIKeyJDRKJOMSKMBZBP-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol (CID 117112780) is 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1cccc(C2(N)CCCC2)c1.
What is the InChIKey of 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is JDRKJOMSKMBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,11-17)12-6-5-7-13(10-12)15(16)8-3-4-9-15/h5-7,10,17H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol?
2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117112780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).