1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine

C16H23NO3 — CID 117444451

IUPAC1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
SMILESCOc1ccc(C2(N)CCC2)cc1OC1CCCOC1
InChIInChI=1S/C16H23NO3/c1-18-14-6-5-12(16(17)7-3-8-16)10-15(14)20-13-4-2-9-19-11-13/h5-6,10,13H,2-4,7-9,11,17H2,1H3
InChIKeyVCLJKDYKQSAGKD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine

1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine (PubChem CID 117444451) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
PubChem CID117444451
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
SMILESCOc1ccc(C2(N)CCC2)cc1OC1CCCOC1
InChIInChI=1S/C16H23NO3/c1-18-14-6-5-12(16(17)7-3-8-16)10-15(14)20-13-4-2-9-19-11-13/h5-6,10,13H,2-4,7-9,11,17H2,1H3
InChIKeyVCLJKDYKQSAGKD-UHFFFAOYSA-N
XLogP2.59
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine 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

1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117448437
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine (CID 117444451) is 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine is COc1ccc(C2(N)CCC2)cc1OC1CCCOC1.
What is the InChIKey of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine?
The InChIKey is VCLJKDYKQSAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-14-6-5-12(16(17)7-3-8-16)10-15(14)20-13-4-2-9-19-11-13/h5-6,10,13H,2-4,7-9,11,17H2,1H3.
What are the key properties of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine?
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine has a molecular weight of 277.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117444451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).