2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine

C11H15NO2 — CID 117283610

IUPAC2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine
SMILESCc1ccc(C(C)(C)N)c2c1OCO2
InChIInChI=1S/C11H15NO2/c1-7-4-5-8(11(2,3)12)10-9(7)13-6-14-10/h4-5H,6,12H2,1-3H3
InChIKeyUEWLFKQGMALKKP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds1

About 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine

2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine (PubChem CID 117283610) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine
PubChem CID117283610
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine
SMILESCc1ccc(C(C)(C)N)c2c1OCO2
InChIInChI=1S/C11H15NO2/c1-7-4-5-8(11(2,3)12)10-9(7)13-6-14-10/h4-5H,6,12H2,1-3H3
InChIKeyUEWLFKQGMALKKP-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine
CID 117327782
O-[(7-methyl-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117278597
2-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-amine
CID 117316786
3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol
CID 117278739
7-(2-aminopropan-2-yl)-5-chloro-1,3-benzodioxole-4-carbaldehyde
CID 117356137
N-methoxy-1-(7-methyl-1,3-benzodioxol-4-yl)methanamine
CID 117285069
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
2-(7-methyl-1,3-benzodioxol-4-yl)-2-oxoacetic acid
CID 117297042
2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]propan-2-amine
CID 117330067
4,5-dimethyl-1,3-benzodioxole
CID 12958464
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine?
The IUPAC name of 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine (CID 117283610) is 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine?
The canonical SMILES for 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine is Cc1ccc(C(C)(C)N)c2c1OCO2.
What is the InChIKey of 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine?
The InChIKey is UEWLFKQGMALKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-5-8(11(2,3)12)10-9(7)13-6-14-10/h4-5H,6,12H2,1-3H3.
What are the key properties of 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine?
2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine has a molecular weight of 193.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine is sourced from PubChem (CID 117283610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).