4-[2-(oxolan-3-ylmethylamino)propyl]phenol

C14H21NO2 — CID 115494210

IUPAC4-[2-(oxolan-3-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCC1CCOC1
InChIInChI=1S/C14H21NO2/c1-11(15-9-13-6-7-17-10-13)8-12-2-4-14(16)5-3-12/h2-5,11,13,15-16H,6-10H2,1H3
InChIKeyBAZZBNNROLLOCY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds5

About 4-[2-(oxolan-3-ylmethylamino)propyl]phenol

4-[2-(oxolan-3-ylmethylamino)propyl]phenol (PubChem CID 115494210) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-(oxolan-3-ylmethylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(oxolan-3-ylmethylamino)propyl]phenol
PubChem CID115494210
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-(oxolan-3-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCC1CCOC1
InChIInChI=1S/C14H21NO2/c1-11(15-9-13-6-7-17-10-13)8-12-2-4-14(16)5-3-12/h2-5,11,13,15-16H,6-10H2,1H3
InChIKeyBAZZBNNROLLOCY-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
1-(furan-2-yl)-N-(oxolan-3-ylmethyl)propan-2-amine
CID 43693110
2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
N-[1-(4-hydroxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 75384504
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 115494201
4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-3-ylmethylamino)propyl]phenol?
The IUPAC name of 4-[2-(oxolan-3-ylmethylamino)propyl]phenol (CID 115494210) is 4-[2-(oxolan-3-ylmethylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(oxolan-3-ylmethylamino)propyl]phenol?
The canonical SMILES for 4-[2-(oxolan-3-ylmethylamino)propyl]phenol is CC(Cc1ccc(O)cc1)NCC1CCOC1.
What is the InChIKey of 4-[2-(oxolan-3-ylmethylamino)propyl]phenol?
The InChIKey is BAZZBNNROLLOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-9-13-6-7-17-10-13)8-12-2-4-14(16)5-3-12/h2-5,11,13,15-16H,6-10H2,1H3.
What are the key properties of 4-[2-(oxolan-3-ylmethylamino)propyl]phenol?
4-[2-(oxolan-3-ylmethylamino)propyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-3-ylmethylamino)propyl]phenol is sourced from PubChem (CID 115494210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).