N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C15H22N2O2 — CID 115208180

IUPACN,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1N(C)CC1CCCN1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-11-8-14-15(19-7-6-18-14)9-13(11)17(2)10-12-4-3-5-16-12/h8-9,12,16H,3-7,10H2,1-2H3
InChIKeyABDVXKJRLLUJGM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115208180) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115208180
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1N(C)CC1CCCN1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-11-8-14-15(19-7-6-18-14)9-13(11)17(2)10-12-4-3-5-16-12/h8-9,12,16H,3-7,10H2,1-2H3
InChIKeyABDVXKJRLLUJGM-UHFFFAOYSA-N
XLogP1.95
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211
N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237974
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208277
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115196418
N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 83831221
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
2,5-difluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208207
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115208180) is N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is Cc1cc2c(cc1N(C)CC1CCCN1)OCCO2.
What is the InChIKey of N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is ABDVXKJRLLUJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-14-15(19-7-6-18-14)9-13(11)17(2)10-12-4-3-5-16-12/h8-9,12,16H,3-7,10H2,1-2H3.
What are the key properties of N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115208180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).