2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine

C12H17NO2 — CID 117296103

IUPAC2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCc1cc(CC(C)(C)N)cc2c1OCO2
InChIInChI=1S/C12H17NO2/c1-8-4-9(6-12(2,3)13)5-10-11(8)15-7-14-10/h4-5H,6-7,13H2,1-3H3
InChIKeyZPWIIJHZAQEZFR-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine

2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 117296103) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID117296103
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCc1cc(CC(C)(C)N)cc2c1OCO2
InChIInChI=1S/C12H17NO2/c1-8-4-9(6-12(2,3)13)5-10-11(8)15-7-14-10/h4-5H,6-7,13H2,1-3H3
InChIKeyZPWIIJHZAQEZFR-UHFFFAOYSA-N
XLogP2.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117284494
4-methyl-6-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]-1,3-benzodioxole
CID 54037663
2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117316768
1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117468385
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709
1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983
2,2-dimethyl-3-(6-methyl-1,3-benzodioxol-4-yl)propanoic acid
CID 117344660
4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole
CID 59546068
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117392742
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzodioxol-5-yl)ethanone
CID 58144932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine (CID 117296103) is 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine is Cc1cc(CC(C)(C)N)cc2c1OCO2.
What is the InChIKey of 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is ZPWIIJHZAQEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-9(6-12(2,3)13)5-10-11(8)15-7-14-10/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 207.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 117296103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).