1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine

C17H20BrNOS — CID 105178514

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C17H20BrNOS/c18-14-9-12-6-7-20-17(12)13(10-14)11-15(19)3-1-4-16-5-2-8-21-16/h2,5,8-10,15H,1,3-4,6-7,11,19H2
InChIKeySWCQQPOJQXBWFT-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.34
Rot. Bonds6

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105178514) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105178514
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C17H20BrNOS/c18-14-9-12-6-7-20-17(12)13(10-14)11-15(19)3-1-4-16-5-2-8-21-16/h2,5,8-10,15H,1,3-4,6-7,11,19H2
InChIKeySWCQQPOJQXBWFT-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105031711
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105178517
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105332479
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 105031668
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one
CID 105126597
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine (CID 105178514) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine is NC(CCCc1cccs1)Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is SWCQQPOJQXBWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c18-14-9-12-6-7-20-17(12)13(10-14)11-15(19)3-1-4-16-5-2-8-21-16/h2,5,8-10,15H,1,3-4,6-7,11,19H2.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 366.32 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105178514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).