2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine

C10H14BrNO — CID 131373186

IUPAC2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine
SMILESCC1(C)CCc2cc(Br)oc2C1N
InChIInChI=1S/C10H14BrNO/c1-10(2)4-3-6-5-7(11)13-8(6)9(10)12/h5,9H,3-4,12H2,1-2H3
InChIKeyVGZMNRNHQKOAFK-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.01
Rot. Bonds

About 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine

2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine (PubChem CID 131373186) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine.

Molecular Properties

Compound Name2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine
PubChem CID131373186
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine
SMILESCC1(C)CCc2cc(Br)oc2C1N
InChIInChI=1S/C10H14BrNO/c1-10(2)4-3-6-5-7(11)13-8(6)9(10)12/h5,9H,3-4,12H2,1-2H3
InChIKeyVGZMNRNHQKOAFK-UHFFFAOYSA-N
XLogP3.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine
CID 112715156
6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine
CID 112714469
methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
CID 83913309
5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
CID 112714362
5-bromo-2-(4-methylcyclohexyl)furan-3-amine
CID 82380411
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
CID 82277958
cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
CID 94419650
6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
CID 71269733
2-bromo-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 82397209
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene
CID 142949508
6-bromospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175083255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
The IUPAC name of 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine (CID 131373186) is 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine.
What is the SMILES notation for 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
The canonical SMILES for 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine is CC1(C)CCc2cc(Br)oc2C1N.
What is the InChIKey of 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
The InChIKey is VGZMNRNHQKOAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-10(2)4-3-6-5-7(11)13-8(6)9(10)12/h5,9H,3-4,12H2,1-2H3.
What are the key properties of 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine has a molecular weight of 244.13 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine is sourced from PubChem (CID 131373186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).