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

C14H20N2O2 — CID 115207411

IUPACN-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1N(C)CC1CNC1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-10-5-13-14(18-4-3-17-13)6-12(10)16(2)9-11-7-15-8-11/h5-6,11,15H,3-4,7-9H2,1-2H3
InChIKeyWOQIRYPPTUSMAT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds3

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

N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115207411) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115207411
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1N(C)CC1CNC1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-10-5-13-14(18-4-3-17-13)6-12(10)16(2)9-11-7-15-8-11/h5-6,11,15H,3-4,7-9H2,1-2H3
InChIKeyWOQIRYPPTUSMAT-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
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,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115208180
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115196418
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237974
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211
2-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115219345
3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115133980
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115207411) is N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine is Cc1cc2c(cc1N(C)CC1CNC1)OCCO2.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is WOQIRYPPTUSMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-13-14(18-4-3-17-13)6-12(10)16(2)9-11-7-15-8-11/h5-6,11,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 248.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115207411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).