[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine

C13H17NO2 — CID 82493830

IUPAC[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
SMILESCc1cc2c(cc1C1(CN)CC1)OCCO2
InChIInChI=1S/C13H17NO2/c1-9-6-11-12(16-5-4-15-11)7-10(9)13(8-14)2-3-13/h6-7H,2-5,8,14H2,1H3
InChIKeyPDZKXAWCMKANGD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.76
Rot. Bonds2

About [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine

[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine (PubChem CID 82493830) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
PubChem CID82493830
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
SMILESCc1cc2c(cc1C1(CN)CC1)OCCO2
InChIInChI=1S/C13H17NO2/c1-9-6-11-12(16-5-4-15-11)7-10(9)13(8-14)2-3-13/h6-7H,2-5,8,14H2,1H3
InChIKeyPDZKXAWCMKANGD-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]methanamine
CID 116829634
[1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentyl]methanamine
CID 117467743
7-[1-(aminomethyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117342304
[1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 117480107
[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclobutyl]methanamine
CID 117412717
[1-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentyl]methanamine
CID 117448091
[1-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]cyclopentyl]methanamine
CID 117496246
[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
CID 117492418
[1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclopentyl]methanamine
CID 117485431
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclobutyl]methanamine
CID 117496977
7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine
CID 116876077

Frequently Asked Questions

What is the IUPAC name of [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine (CID 82493830) is [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine is Cc1cc2c(cc1C1(CN)CC1)OCCO2.
What is the InChIKey of [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine?
The InChIKey is PDZKXAWCMKANGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-11-12(16-5-4-15-11)7-10(9)13(8-14)2-3-13/h6-7H,2-5,8,14H2,1H3.
What are the key properties of [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine?
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine has a molecular weight of 219.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82493830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).