2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine

C15H19NO2 — CID 168896033

IUPAC2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)OCO2)C12CCC1C2
InChIInChI=1S/C15H19NO2/c1-16-14(15-5-4-11(15)8-15)7-10-2-3-12-13(6-10)18-9-17-12/h2-3,6,11,14,16H,4-5,7-9H2,1H3
InChIKeySDTUMCWRNWJJOJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.35
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine

2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine (PubChem CID 168896033) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine
PubChem CID168896033
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)OCO2)C12CCC1C2
InChIInChI=1S/C15H19NO2/c1-16-14(15-5-4-11(15)8-15)7-10-2-3-12-13(6-10)18-9-17-12/h2-3,6,11,14,16H,4-5,7-9H2,1H3
InChIKeySDTUMCWRNWJJOJ-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
2-(1,3-benzodioxol-5-yl)-1-(3,3-difluorocyclobutyl)-N-methylethanamine
CID 168896187
3-(1,3-benzodioxol-5-yl)-1,1,1,2-tetradeuterio-N-methylpropan-2-amine
CID 59668159
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine
CID 68690965
2-(1,3-benzodioxol-5-yl)-1-cyclohex-3-en-1-yl-N-methylethanamine
CID 168896110
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
CID 170759950
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
5-[[2-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-benzodioxole
CID 141094053
2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 90665682

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine (CID 168896033) is 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine is CNC(Cc1ccc2c(c1)OCO2)C12CCC1C2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine?
The InChIKey is SDTUMCWRNWJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-14(15-5-4-11(15)8-15)7-10-2-3-12-13(6-10)18-9-17-12/h2-3,6,11,14,16H,4-5,7-9H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine?
2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine has a molecular weight of 245.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine is sourced from PubChem (CID 168896033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).