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

C17H27NO — CID 106701222

IUPAC2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
SMILESCCC(C)CC(C)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C17H27NO/c1-6-12(2)11-13(3)18-16-14-9-7-8-10-15(14)19-17(16,4)5/h7-10,12-13,16,18H,6,11H2,1-5H3
InChIKeyYWQNSOPSCBQOAJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds5

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

2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine (PubChem CID 106701222) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
PubChem CID106701222
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
SMILESCCC(C)CC(C)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C17H27NO/c1-6-12(2)11-13(3)18-16-14-9-7-8-10-15(14)19-17(16,4)5/h7-10,12-13,16,18H,6,11H2,1-5H3
InChIKeyYWQNSOPSCBQOAJ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
N-hex-5-yn-3-yl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701431
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
CID 106701059
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
N-(2-ethoxypropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701430
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-[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-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine (CID 106701222) is 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine is CCC(C)CC(C)NC1c2ccccc2OC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine?
The InChIKey is YWQNSOPSCBQOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-12(2)11-13(3)18-16-14-9-7-8-10-15(14)19-17(16,4)5/h7-10,12-13,16,18H,6,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 5 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-methylhexan-2-yl)-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).