4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol

C13H19NO2 — CID 115032763

IUPAC4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol
SMILESCC1(O)CCC(CN)(c2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO2/c1-12(16)6-7-13(8-12,9-14)10-2-4-11(15)5-3-10/h2-5,15-16H,6-9,14H2,1H3
InChIKeyQSIWSUXYJKUHIU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds2

About 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol

4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol (PubChem CID 115032763) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol
PubChem CID115032763
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol
SMILESCC1(O)CCC(CN)(c2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO2/c1-12(16)6-7-13(8-12,9-14)10-2-4-11(15)5-3-10/h2-5,15-16H,6-9,14H2,1H3
InChIKeyQSIWSUXYJKUHIU-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol?
The IUPAC name of 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol (CID 115032763) is 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol.
What is the SMILES notation for 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol?
The canonical SMILES for 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol is CC1(O)CCC(CN)(c2ccc(O)cc2)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol?
The InChIKey is QSIWSUXYJKUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-12(16)6-7-13(8-12,9-14)10-2-4-11(15)5-3-10/h2-5,15-16H,6-9,14H2,1H3.
What are the key properties of 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol?
4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol is sourced from PubChem (CID 115032763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).