1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine

C11H14BrNO2 — CID 117432619

IUPAC1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCc1c(CC(C)N)cc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO2/c1-6(13)3-8-4-9(12)11-10(7(8)2)14-5-15-11/h4,6H,3,5,13H2,1-2H3
InChIKeyQAFDDCZUKZUGPV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.38
Rot. Bonds2

About 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine

1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 117432619) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID117432619
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCc1c(CC(C)N)cc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO2/c1-6(13)3-8-4-9(12)11-10(7(8)2)14-5-15-11/h4,6H,3,5,13H2,1-2H3
InChIKeyQAFDDCZUKZUGPV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
1-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117461128
6-(2-aminopropyl)-4-bromo-1,3-benzodioxol-5-ol
CID 117437377
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 117437449
2-amino-2-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)acetic acid
CID 117464654
6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
CID 117331311
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117329398
2-amino-1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)ethanone
CID 84713144
O-[2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117464905
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214
3-(6-bromo-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-amine
CID 117483700
2-(7-bromo-4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117485132

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine (CID 117432619) is 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine is Cc1c(CC(C)N)cc(Br)c2c1OCO2.
What is the InChIKey of 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is QAFDDCZUKZUGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6(13)3-8-4-9(12)11-10(7(8)2)14-5-15-11/h4,6H,3,5,13H2,1-2H3.
What are the key properties of 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine?
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 272.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 117432619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).