2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine

C17H21NOS — CID 106701059

IUPAC2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
SMILESCCC(NC1c2ccccc2OC1(C)C)c1cccs1
InChIInChI=1S/C17H21NOS/c1-4-13(15-10-7-11-20-15)18-16-12-8-5-6-9-14(12)19-17(16,2)3/h5-11,13,16,18H,4H2,1-3H3
InChIKeyAVXUQLOOUBYLBY-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.70
Rot. Bonds4

About 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine

2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine (PubChem CID 106701059) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
PubChem CID106701059
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
SMILESCCC(NC1c2ccccc2OC1(C)C)c1cccs1
InChIInChI=1S/C17H21NOS/c1-4-13(15-10-7-11-20-15)18-16-12-8-5-6-9-14(12)19-17(16,2)3/h5-11,13,16,18H,4H2,1-3H3
InChIKeyAVXUQLOOUBYLBY-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
N-hex-5-yn-3-yl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701431
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106701188
4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63453924
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine (CID 106701059) is 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine is CCC(NC1c2ccccc2OC1(C)C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine?
The InChIKey is AVXUQLOOUBYLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-13(15-10-7-11-20-15)18-16-12-8-5-6-9-14(12)19-17(16,2)3/h5-11,13,16,18H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine has a molecular weight of 287.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).