[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine

C13H16ClNO2 — CID 117387373

IUPAC[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
SMILESCCc1c(C2(CN)CC2)cc(Cl)c2c1OCO2
InChIInChI=1S/C13H16ClNO2/c1-2-8-9(13(6-15)3-4-13)5-10(14)12-11(8)16-7-17-12/h5H,2-4,6-7,15H2,1H3
InChIKeyZEFBIFPRECHGPN-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.62
Rot. Bonds3

About [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine

[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine (PubChem CID 117387373) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
PubChem CID117387373
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
SMILESCCc1c(C2(CN)CC2)cc(Cl)c2c1OCO2
InChIInChI=1S/C13H16ClNO2/c1-2-8-9(13(6-15)3-4-13)5-10(14)12-11(8)16-7-17-12/h5H,2-4,6-7,15H2,1H3
InChIKeyZEFBIFPRECHGPN-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84799985
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452651
2-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423010
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478452
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232
[1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117351900
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)ethanone
CID 84690721
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
[1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]methanamine
CID 117390776
7-chloro-4-ethyl-5-(isocyanatomethyl)-1,3-benzodioxole
CID 117351760

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine (CID 117387373) is [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine is CCc1c(C2(CN)CC2)cc(Cl)c2c1OCO2.
What is the InChIKey of [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The InChIKey is ZEFBIFPRECHGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-8-9(13(6-15)3-4-13)5-10(14)12-11(8)16-7-17-12/h5H,2-4,6-7,15H2,1H3.
What are the key properties of [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine has a molecular weight of 253.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117387373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).