3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol

C14H21NO2 — CID 171097757

IUPAC3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol
SMILESCN(C)C(c1cccc(O)c1)C1CCCC1O
InChIInChI=1S/C14H21NO2/c1-15(2)14(12-7-4-8-13(12)17)10-5-3-6-11(16)9-10/h3,5-6,9,12-14,16-17H,4,7-8H2,1-2H3
InChIKeyJZBPOOPORBIQHB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds3

About 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol

3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol (PubChem CID 171097757) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol.

Molecular Properties

Compound Name3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol
PubChem CID171097757
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol
SMILESCN(C)C(c1cccc(O)c1)C1CCCC1O
InChIInChI=1S/C14H21NO2/c1-15(2)14(12-7-4-8-13(12)17)10-5-3-6-11(16)9-10/h3,5-6,9,12-14,16-17H,4,7-8H2,1-2H3
InChIKeyJZBPOOPORBIQHB-UHFFFAOYSA-N
XLogP2.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol?
The IUPAC name of 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol (CID 171097757) is 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol.
What is the SMILES notation for 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol?
The canonical SMILES for 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol is CN(C)C(c1cccc(O)c1)C1CCCC1O.
What is the InChIKey of 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol?
The InChIKey is JZBPOOPORBIQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)14(12-7-4-8-13(12)17)10-5-3-6-11(16)9-10/h3,5-6,9,12-14,16-17H,4,7-8H2,1-2H3.
What are the key properties of 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol?
3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol is sourced from PubChem (CID 171097757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).