[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

C15H20ClNO2 — CID 117452651

IUPAC[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
SMILESCCc1c(C2(CN)CCCC2)cc2c(c1Cl)OCO2
InChIInChI=1S/C15H20ClNO2/c1-2-10-11(15(8-17)5-3-4-6-15)7-12-14(13(10)16)19-9-18-12/h7H,2-6,8-9,17H2,1H3
InChIKeyLOORINREIQYWPK-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.40
Rot. Bonds3

About [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine (PubChem CID 117452651) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
PubChem CID117452651
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
SMILESCCc1c(C2(CN)CCCC2)cc2c(c1Cl)OCO2
InChIInChI=1S/C15H20ClNO2/c1-2-10-11(15(8-17)5-3-4-6-15)7-12-14(13(10)16)19-9-18-12/h7H,2-6,8-9,17H2,1H3
InChIKeyLOORINREIQYWPK-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232
[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117387373
[1-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496965
[1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496963
[1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117351900
4-chloro-5-ethyl-6-(1-isocyanatocyclobutyl)-1,3-benzodioxole
CID 117448713
7-[1-(aminomethyl)cyclopentyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456191
[1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutyl]methanamine
CID 117476581
6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
CID 117426300
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine (CID 117452651) is [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine is CCc1c(C2(CN)CCCC2)cc2c(c1Cl)OCO2.
What is the InChIKey of [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The InChIKey is LOORINREIQYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-10-11(15(8-17)5-3-4-6-15)7-12-14(13(10)16)19-9-18-12/h7H,2-6,8-9,17H2,1H3.
What are the key properties of [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine has a molecular weight of 281.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).