1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine

C12H14ClNO2 — CID 84799985

IUPAC1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESCCc1c(C2(N)CC2)cc(Cl)c2c1OCO2
InChIInChI=1S/C12H14ClNO2/c1-2-7-8(12(14)3-4-12)5-9(13)11-10(7)15-6-16-11/h5H,2-4,6,14H2,1H3
InChIKeyJDSOFGUGUNZFLE-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.58
Rot. Bonds2

About 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine

1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine (PubChem CID 84799985) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
PubChem CID84799985
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESCCc1c(C2(N)CC2)cc(Cl)c2c1OCO2
InChIInChI=1S/C12H14ClNO2/c1-2-7-8(12(14)3-4-12)5-9(13)11-10(7)15-6-16-11/h5H,2-4,6,14H2,1H3
InChIKeyJDSOFGUGUNZFLE-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117387373
2-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423010
(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478452
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)ethanone
CID 84690721
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117422892
1-(6-chloro-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclobutan-1-amine
CID 117422932
7-chloro-4-ethyl-5-(isocyanatomethyl)-1,3-benzodioxole
CID 117351760
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
1-[(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methyl]piperazine
CID 117454652
1-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117389986
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452651

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine (CID 84799985) is 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine is CCc1c(C2(N)CC2)cc(Cl)c2c1OCO2.
What is the InChIKey of 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The InChIKey is JDSOFGUGUNZFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-7-8(12(14)3-4-12)5-9(13)11-10(7)15-6-16-11/h5H,2-4,6,14H2,1H3.
What are the key properties of 1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine has a molecular weight of 239.70 g/mol, XLogP of 2.58, 2 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)cyclopropan-1-amine is sourced from PubChem (CID 84799985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).