2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine

C16H25NO — CID 106700864

IUPAC2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
SMILESCC(C)CC(C)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C16H25NO/c1-11(2)10-12(3)17-15-13-8-6-7-9-14(13)18-16(15,4)5/h6-9,11-12,15,17H,10H2,1-5H3
InChIKeyAXSKMMPPMIZVJG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds4

About 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine

2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine (PubChem CID 106700864) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
PubChem CID106700864
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
SMILESCC(C)CC(C)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C16H25NO/c1-11(2)10-12(3)17-15-13-8-6-7-9-14(13)18-16(15,4)5/h6-9,11-12,15,17H,10H2,1-5H3
InChIKeyAXSKMMPPMIZVJG-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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]propan-1-ol
CID 106700871
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-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
CID 106700774
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
N-hex-5-yn-3-yl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701431
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine (CID 106700864) is 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine is CC(C)CC(C)NC1c2ccccc2OC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine?
The InChIKey is AXSKMMPPMIZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)10-12(3)17-15-13-8-6-7-9-14(13)18-16(15,4)5/h6-9,11-12,15,17H,10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).