2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine

C17H20N2O — CID 106700774

IUPAC2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
SMILESCC(NC1c2ccccc2OC1(C)C)c1ccncc1
InChIInChI=1S/C17H20N2O/c1-12(13-8-10-18-11-9-13)19-16-14-6-4-5-7-15(14)20-17(16,2)3/h4-12,16,19H,1-3H3
InChIKeyCGLGAXOOOORGSL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.64
Rot. Bonds3

About 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine

2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine (PubChem CID 106700774) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
PubChem CID106700774
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
SMILESCC(NC1c2ccccc2OC1(C)C)c1ccncc1
InChIInChI=1S/C17H20N2O/c1-12(13-8-10-18-11-9-13)19-16-14-6-4-5-7-15(14)20-17(16,2)3/h4-12,16,19H,1-3H3
InChIKeyCGLGAXOOOORGSL-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701249
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
N-hex-5-yn-3-yl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701431
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine (CID 106700774) is 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine is CC(NC1c2ccccc2OC1(C)C)c1ccncc1.
What is the InChIKey of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine?
The InChIKey is CGLGAXOOOORGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(13-8-10-18-11-9-13)19-16-14-6-4-5-7-15(14)20-17(16,2)3/h4-12,16,19H,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine has a molecular weight of 268.36 g/mol, XLogP of 3.64, 3 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-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).