7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C15H22N2O2 — CID 115244526

IUPAC7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCNCC1(CNc2cc3c(cc2C)OCCO3)CC1
InChIInChI=1S/C15H22N2O2/c1-11-7-13-14(19-6-5-18-13)8-12(11)17-10-15(3-4-15)9-16-2/h7-8,16-17H,3-6,9-10H2,1-2H3
InChIKeyXGACKRDSBVXJLR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.18
Rot. Bonds5

About 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115244526) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115244526
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCNCC1(CNc2cc3c(cc2C)OCCO3)CC1
InChIInChI=1S/C15H22N2O2/c1-11-7-13-14(19-6-5-18-13)8-12(11)17-10-15(3-4-15)9-16-2/h7-8,16-17H,3-6,9-10H2,1-2H3
InChIKeyXGACKRDSBVXJLR-UHFFFAOYSA-N
XLogP2.18
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
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

[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
CID 115243248
2-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115222020
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774
1-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242026
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115217387
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904
methyl 1-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]cyclopropane-1-carboxylate
CID 115247460
2-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 115202335
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butanoic acid
CID 115218455

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115244526) is 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is CNCC1(CNc2cc3c(cc2C)OCCO3)CC1.
What is the InChIKey of 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is XGACKRDSBVXJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-13-14(19-6-5-18-13)8-12(11)17-10-15(3-4-15)9-16-2/h7-8,16-17H,3-6,9-10H2,1-2H3.
What are the key properties of 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 262.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115244526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).