[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine

C13H17NO3 — CID 117342455

IUPAC[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
SMILESCOc1cc2c(c(C3(CN)CC3)c1)OCCO2
InChIInChI=1S/C13H17NO3/c1-15-9-6-10(13(8-14)2-3-13)12-11(7-9)16-4-5-17-12/h6-7H,2-5,8,14H2,1H3
InChIKeyXDEUXPJGPQMQDY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.46
Rot. Bonds3

About [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine

[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine (PubChem CID 117342455) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
PubChem CID117342455
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
SMILESCOc1cc2c(c(C3(CN)CC3)c1)OCCO2
InChIInChI=1S/C13H17NO3/c1-15-9-6-10(13(8-14)2-3-13)12-11(7-9)16-4-5-17-12/h6-7H,2-5,8,14H2,1H3
InChIKeyXDEUXPJGPQMQDY-UHFFFAOYSA-N
XLogP1.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine 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-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
[1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropyl]methanamine
CID 117426267
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428383
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
CID 117476076
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82248393
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
CID 117349268
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 117480107

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine (CID 117342455) is [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine is COc1cc2c(c(C3(CN)CC3)c1)OCCO2.
What is the InChIKey of [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine?
The InChIKey is XDEUXPJGPQMQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-15-9-6-10(13(8-14)2-3-13)12-11(7-9)16-4-5-17-12/h6-7H,2-5,8,14H2,1H3.
What are the key properties of [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine?
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine has a molecular weight of 235.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117342455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).