1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine

C15H22N2O2 — CID 116906661

IUPAC1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
SMILESCN(C)C(CC1CCCN1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O2/c1-17(2)13(9-12-4-3-7-16-12)11-5-6-14-15(8-11)19-10-18-14/h5-6,8,12-13,16H,3-4,7,9-10H2,1-2H3
InChIKeyBCRKHJGXAZJTAP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.16
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine

1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine (PubChem CID 116906661) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
PubChem CID116906661
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
SMILESCN(C)C(CC1CCCN1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O2/c1-17(2)13(9-12-4-3-7-16-12)11-5-6-14-15(8-11)19-10-18-14/h5-6,8,12-13,16H,3-4,7,9-10H2,1-2H3
InChIKeyBCRKHJGXAZJTAP-UHFFFAOYSA-N
XLogP2.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82296423
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116906674
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 110287448
1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine (CID 116906661) is 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine is CN(C)C(CC1CCCN1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine?
The InChIKey is BCRKHJGXAZJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)13(9-12-4-3-7-16-12)11-5-6-14-15(8-11)19-10-18-14/h5-6,8,12-13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine?
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine has a molecular weight of 262.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116906661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).