2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine

C12H18N2O2 — CID 116855601

IUPAC2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCc1cc2c(cc1C(C)(N)CN)OCCO2
InChIInChI=1S/C12H18N2O2/c1-8-5-10-11(16-4-3-15-10)6-9(8)12(2,14)7-13/h5-6H,3-4,7,13-14H2,1-2H3
InChIKeyPEPARHMJUXYBLC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds2

About 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine

2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (PubChem CID 116855601) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
PubChem CID116855601
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCc1cc2c(cc1C(C)(N)CN)OCCO2
InChIInChI=1S/C12H18N2O2/c1-8-5-10-11(16-4-3-15-10)6-9(8)12(2,14)7-13/h5-6H,3-4,7,13-14H2,1-2H3
InChIKeyPEPARHMJUXYBLC-UHFFFAOYSA-N
XLogP0.90
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 82481168
2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide
CID 116844032
1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 82476704
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
3-methyl-3-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 115134462
2-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanamine
CID 84703800
2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
CID 116855593
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117319995
1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 116949180
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The IUPAC name of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (CID 116855601) is 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The canonical SMILES for 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is Cc1cc2c(cc1C(C)(N)CN)OCCO2.
What is the InChIKey of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The InChIKey is PEPARHMJUXYBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-10-11(16-4-3-15-10)6-9(8)12(2,14)7-13/h5-6H,3-4,7,13-14H2,1-2H3.
What are the key properties of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 116855601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).