[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine

C14H19NO2 — CID 117338394

IUPAC[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
SMILESCc1cc(C2(CN)CC2)cc2c1OCCCO2
InChIInChI=1S/C14H19NO2/c1-10-7-11(14(9-15)3-4-14)8-12-13(10)17-6-2-5-16-12/h7-8H,2-6,9,15H2,1H3
InChIKeyDGDJEMDMNSGVLR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.15
Rot. Bonds2

About [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine

[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine (PubChem CID 117338394) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
PubChem CID117338394
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
SMILESCc1cc(C2(CN)CC2)cc2c1OCCCO2
InChIInChI=1S/C14H19NO2/c1-10-7-11(14(9-15)3-4-14)8-12-13(10)17-6-2-5-16-12/h7-8H,2-6,9,15H2,1H3
InChIKeyDGDJEMDMNSGVLR-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
CID 117408348
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
[1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 117480107
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387
[1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropyl]methanamine
CID 117426267
[1-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclobutyl]methanamine
CID 117494450
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
CID 117342455
[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452645
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine (CID 117338394) is [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine is Cc1cc(C2(CN)CC2)cc2c1OCCCO2.
What is the InChIKey of [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine?
The InChIKey is DGDJEMDMNSGVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-11(14(9-15)3-4-14)8-12-13(10)17-6-2-5-16-12/h7-8H,2-6,9,15H2,1H3.
What are the key properties of [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine?
[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117338394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).