(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

C11H14BrNO2 — CID 84713196

IUPAC(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCCc1c(CN)c(Br)cc2c1OCCO2
InChIInChI=1S/C11H14BrNO2/c1-2-7-8(6-13)9(12)5-10-11(7)15-4-3-14-10/h5H,2-4,6,13H2,1H3
InChIKeyUCPLPNDTFRLNMS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.24
Rot. Bonds2

About (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 84713196) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
PubChem CID84713196
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCCc1c(CN)c(Br)cc2c1OCCO2
InChIInChI=1S/C11H14BrNO2/c1-2-7-8(6-13)9(12)5-10-11(7)15-4-3-14-10/h5H,2-4,6,13H2,1H3
InChIKeyUCPLPNDTFRLNMS-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117483712
7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
CID 84714678
1-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 84815902
2-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 84702910
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 43143868
2-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 117460829
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464917
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904
3-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117484732
2-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117468334
2-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
CID 117423660

Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 84713196) is (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is CCc1c(CN)c(Br)cc2c1OCCO2.
What is the InChIKey of (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is UCPLPNDTFRLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-7-8(6-13)9(12)5-10-11(7)15-4-3-14-10/h5H,2-4,6,13H2,1H3.
What are the key properties of (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 272.14 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 84713196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).