(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine

C9H10BrNO2 — CID 43143868

IUPAC(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
SMILESNCc1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C9H10BrNO2/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4H,1-2,5,11H2
InChIKeyBAIBIIONZGGOLX-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.68
Rot. Bonds1

About (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine

(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine (PubChem CID 43143868) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
PubChem CID43143868
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
SMILESNCc1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C9H10BrNO2/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4H,1-2,5,11H2
InChIKeyBAIBIIONZGGOLX-UHFFFAOYSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine
CID 43143968
5-bromo-7-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
CID 43143965
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetonitrile
CID 75481902
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenylmethanamine
CID 43326701
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pentan-3-amine
CID 43143888
(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84713196
3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
CID 43553153
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266922
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103838588
(2R)-2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propan-1-ol
CID 93082286
N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamine
CID 43143973

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine (CID 43143868) is (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine is NCc1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine?
The InChIKey is BAIBIIONZGGOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4H,1-2,5,11H2.
What are the key properties of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine?
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine has a molecular weight of 244.09 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine is sourced from PubChem (CID 43143868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).