(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine

C9H10BrNO2 — CID 117361687

IUPAC(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine
SMILESNCc1ccc(Br)c2c1OCCO2
InChIInChI=1S/C9H10BrNO2/c10-7-2-1-6(5-11)8-9(7)13-4-3-12-8/h1-2H,3-5,11H2
InChIKeyAVZSYRMTJMKFOM-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.68
Rot. Bonds1

About (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine

(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine (PubChem CID 117361687) 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-8-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine
PubChem CID117361687
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine
SMILESNCc1ccc(Br)c2c1OCCO2
InChIInChI=1S/C9H10BrNO2/c10-7-2-1-6(5-11)8-9(7)13-4-3-12-8/h1-2H,3-5,11H2
InChIKeyAVZSYRMTJMKFOM-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

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-one
CID 117430234
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-N-methoxymethanamine
CID 117464938
1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117432784
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
1-(7-bromo-1,3-benzodioxol-4-yl)-N-methoxymethanamine
CID 117403772
2-amino-3-(7-bromo-1,3-benzodioxol-4-yl)propanoic acid
CID 117464647
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 43143868
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
[3-(7-bromo-1,3-benzodioxol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117479683
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine
CID 117301355
(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117359951

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine (CID 117361687) is (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine is NCc1ccc(Br)c2c1OCCO2.
What is the InChIKey of (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine?
The InChIKey is AVZSYRMTJMKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-2-1-6(5-11)8-9(7)13-4-3-12-8/h1-2H,3-5,11H2.
What are the key properties of (5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine?
(5-bromo-2,3-dihydro-1,4-benzodioxin-8-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-8-yl)methanamine is sourced from PubChem (CID 117361687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).