(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine

C13H17NO3 — CID 117342269

IUPAC(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
SMILESCOc1ccc(/C=C/CN)cc1OC1COC1
InChIInChI=1S/C13H17NO3/c1-15-12-5-4-10(3-2-6-14)7-13(12)17-11-8-16-9-11/h2-5,7,11H,6,8-9,14H2,1H3/b3-2+
InChIKeyMGZJHFLJPXGIIJ-NSCUHMNNSA-N
MW235.28 g/mol
LogP1.44
Rot. Bonds5

About (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine

(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine (PubChem CID 117342269) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
PubChem CID117342269
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
SMILESCOc1ccc(/C=C/CN)cc1OC1COC1
InChIInChI=1S/C13H17NO3/c1-15-12-5-4-10(3-2-6-14)7-13(12)17-11-8-16-9-11/h2-5,7,11H,6,8-9,14H2,1H3/b3-2+
InChIKeyMGZJHFLJPXGIIJ-NSCUHMNNSA-N
XLogP1.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-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

(E)-3-[3-methoxy-4-(thian-3-yloxy)phenyl]prop-2-en-1-amine
CID 117448497
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
CID 82286004
4-methoxy-3-(oxetan-3-yloxy)benzonitrile
CID 117293213
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
CID 117382839
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
(E)-4-[3-(difluoromethoxy)-4-methoxyphenyl]but-3-en-1-amine
CID 63970735
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine (CID 117342269) is (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine is COc1ccc(/C=C/CN)cc1OC1COC1.
What is the InChIKey of (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine?
The InChIKey is MGZJHFLJPXGIIJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H17NO3/c1-15-12-5-4-10(3-2-6-14)7-13(12)17-11-8-16-9-11/h2-5,7,11H,6,8-9,14H2,1H3/b3-2+.
What are the key properties of (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine?
(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine has a molecular weight of 235.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117342269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).