3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol

C16H23NO2 — CID 104509630

IUPAC3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
SMILESCNCC1(Cc2cccc(O)c2)CCOC1C1CC1
InChIInChI=1S/C16H23NO2/c1-17-11-16(7-8-19-15(16)13-5-6-13)10-12-3-2-4-14(18)9-12/h2-4,9,13,15,17-18H,5-8,10-11H2,1H3
InChIKeyPRELHQVZDGVIBN-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.34
Rot. Bonds5

About 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol

3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol (PubChem CID 104509630) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
PubChem CID104509630
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
SMILESCNCC1(Cc2cccc(O)c2)CCOC1C1CC1
InChIInChI=1S/C16H23NO2/c1-17-11-16(7-8-19-15(16)13-5-6-13)10-12-3-2-4-14(18)9-12/h2-4,9,13,15,17-18H,5-8,10-11H2,1H3
InChIKeyPRELHQVZDGVIBN-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(bromomethyl)-2-cyclopropyl-3-[(3-methylphenyl)methyl]oxolane
CID 104510696
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
N-[[2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509839
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104810984
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol?
The IUPAC name of 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol (CID 104509630) is 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol?
The canonical SMILES for 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol is CNCC1(Cc2cccc(O)c2)CCOC1C1CC1.
What is the InChIKey of 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol?
The InChIKey is PRELHQVZDGVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-11-16(7-8-19-15(16)13-5-6-13)10-12-3-2-4-14(18)9-12/h2-4,9,13,15,17-18H,5-8,10-11H2,1H3.
What are the key properties of 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol?
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol has a molecular weight of 261.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol is sourced from PubChem (CID 104509630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).