1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine

C11H14BrNO2 — CID 43131945

IUPAC1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
SMILESCCC(N)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H14BrNO2/c1-2-9(13)7-5-10-11(6-8(7)12)15-4-3-14-10/h5-6,9H,2-4,13H2,1H3
InChIKeyCARZDGKNUWBNSR-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.63
Rot. Bonds2

About 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine

1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine (PubChem CID 43131945) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
PubChem CID43131945
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
SMILESCCC(N)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H14BrNO2/c1-2-9(13)7-5-10-11(6-8(7)12)15-4-3-14-10/h5-6,9H,2-4,13H2,1H3
InChIKeyCARZDGKNUWBNSR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-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-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-amine
CID 43152851
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylpentan-1-amine
CID 114874205
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)butan-1-amine;hydrochloride
CID 171213180
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)hexan-1-amine
CID 171213184
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylhexan-1-amine
CID 43330349
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162744
5-amino-5-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentanamide
CID 60862013
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethyl-N-methylbutan-1-amine
CID 43486257
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-fluorophenyl)ethanamine
CID 43330374
6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
CID 61096359
methyl 5-amino-5-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentanoate
CID 60861842
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-amine;hydrochloride
CID 171215133

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine?
The IUPAC name of 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine (CID 43131945) is 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine.
What is the SMILES notation for 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine?
The canonical SMILES for 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine is CCC(N)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine?
The InChIKey is CARZDGKNUWBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-9(13)7-5-10-11(6-8(7)12)15-4-3-14-10/h5-6,9H,2-4,13H2,1H3.
What are the key properties of 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine?
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine has a molecular weight of 272.14 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine is sourced from PubChem (CID 43131945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).