3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol

C17H25NO3 — CID 106100153

IUPAC3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCOc1ccc(C2CC(NCC3(O)CCOC3C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-12-17(19,7-8-21-12)11-18-15-9-14(10-15)13-3-5-16(20-2)6-4-13/h3-6,12,14-15,18-19H,7-11H2,1-2H3
InChIKeyPZWIOSKCIJTOCW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.07
Rot. Bonds5

About 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol

3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106100153) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
PubChem CID106100153
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCOc1ccc(C2CC(NCC3(O)CCOC3C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-12-17(19,7-8-21-12)11-18-15-9-14(10-15)13-3-5-16(20-2)6-4-13/h3-6,12,14-15,18-19H,7-11H2,1-2H3
InChIKeyPZWIOSKCIJTOCW-UHFFFAOYSA-N
XLogP2.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 107301847
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270752
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
CID 114078738
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol (CID 106100153) is 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol is COc1ccc(C2CC(NCC3(O)CCOC3C)C2)cc1.
What is the InChIKey of 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is PZWIOSKCIJTOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-17(19,7-8-21-12)11-18-15-9-14(10-15)13-3-5-16(20-2)6-4-13/h3-6,12,14-15,18-19H,7-11H2,1-2H3.
What are the key properties of 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol?
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 291.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).