1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine

C11H14BrNO2 — CID 117432784

IUPAC1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO2/c1-11(2,13)5-7-3-4-8(12)10-9(7)14-6-15-10/h3-4H,5-6,13H2,1-2H3
InChIKeyVJJRFFNSFGGHGP-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.46
Rot. Bonds2

About 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine

1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine (PubChem CID 117432784) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
PubChem CID117432784
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO2/c1-11(2,13)5-7-3-4-8(12)10-9(7)14-6-15-10/h3-4H,5-6,13H2,1-2H3
InChIKeyVJJRFFNSFGGHGP-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117483586
1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709
1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117468385
1-(7-bromo-1,3-benzodioxol-4-yl)-N-methoxymethanamine
CID 117403772
(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine
CID 117361687
2-methyl-1-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]propan-2-amine
CID 117467237
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
2-amino-3-(7-bromo-1,3-benzodioxol-4-yl)propanoic acid
CID 117464647
2-[(7-bromo-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117480220
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
1-(3-bromo-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 84805284

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine (CID 117432784) is 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(Br)c2c1OCO2.
What is the InChIKey of 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine?
The InChIKey is VJJRFFNSFGGHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2,13)5-7-3-4-8(12)10-9(7)14-6-15-10/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine?
1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine has a molecular weight of 272.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117432784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).