(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine

C10H12BrNO — CID 130741328

IUPAC(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCc1ccc(Br)c2c1[C@@H](N)CO2
InChIInChI=1S/C10H12BrNO/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-4,8H,2,5,12H2,1H3/t8-/m0/s1
InChIKeyMLSYDUWSJHCQDJ-QMMMGPOBSA-N
MW242.12 g/mol
LogP2.40
Rot. Bonds1

About (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine

(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130741328) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130741328
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCc1ccc(Br)c2c1[C@@H](N)CO2
InChIInChI=1S/C10H12BrNO/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-4,8H,2,5,12H2,1H3/t8-/m0/s1
InChIKeyMLSYDUWSJHCQDJ-QMMMGPOBSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine
CID 130643053
(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 130673857
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130985321
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179
(3R)-7-ethyl-5-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130609262
ethyl (1aR,7bS)-4-bromo-7-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylate
CID 67174290
(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 131081672
(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130615757
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate
CID 146565565
(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130739663
(4S)-8-bromo-5-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 79022059

Frequently Asked Questions

What is the IUPAC name of (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 130741328) is (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCc1ccc(Br)c2c1[C@@H](N)CO2.
What is the InChIKey of (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MLSYDUWSJHCQDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-4,8H,2,5,12H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine?
(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 242.12 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130741328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).