1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine

C12H16BrNO — CID 117198427

IUPAC1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2c(Br)cccc2O1
InChIInChI=1S/C12H16BrNO/c1-8(14-2)6-9-7-10-11(13)4-3-5-12(10)15-9/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeySVCAYCHXGFAQMT-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine

1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine (PubChem CID 117198427) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine
PubChem CID117198427
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2c(Br)cccc2O1
InChIInChI=1S/C12H16BrNO/c1-8(14-2)6-9-7-10-11(13)4-3-5-12(10)15-9/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeySVCAYCHXGFAQMT-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 117198404
3-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117198928
1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
CID 66363030
2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
4-methyl-2-propyl-2,3-dihydro-1-benzofuran
CID 141132371
1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
CID 117198682
1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine
CID 117198407
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 66365394
1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine (CID 117198427) is 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine is CNC(C)CC1Cc2c(Br)cccc2O1.
What is the InChIKey of 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine?
The InChIKey is SVCAYCHXGFAQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(14-2)6-9-7-10-11(13)4-3-5-12(10)15-9/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine?
1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine has a molecular weight of 270.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117198427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).