[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

C15H20ClNO2 — CID 117452645

IUPAC[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
SMILESCC1(C)Oc2cc(C3(CN)CCCC3)cc(Cl)c2O1
InChIInChI=1S/C15H20ClNO2/c1-14(2)18-12-8-10(7-11(16)13(12)19-14)15(9-17)5-3-4-6-15/h7-8H,3-6,9,17H2,1-2H3
InChIKeyBKXJRYLRYLYNDE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.62
Rot. Bonds2

About [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine (PubChem CID 117452645) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
PubChem CID117452645
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
SMILESCC1(C)Oc2cc(C3(CN)CCCC3)cc(Cl)c2O1
InChIInChI=1S/C15H20ClNO2/c1-14(2)18-12-8-10(7-11(16)13(12)19-14)15(9-17)5-3-4-6-15/h7-8H,3-6,9,17H2,1-2H3
InChIKeyBKXJRYLRYLYNDE-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
CID 117402987
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
CID 117338394
[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine
CID 115004408
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine (CID 117452645) is [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine is CC1(C)Oc2cc(C3(CN)CCCC3)cc(Cl)c2O1.
What is the InChIKey of [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The InChIKey is BKXJRYLRYLYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-14(2)18-12-8-10(7-11(16)13(12)19-14)15(9-17)5-3-4-6-15/h7-8H,3-6,9,17H2,1-2H3.
What are the key properties of [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine has a molecular weight of 281.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117452645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).