1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine

C16H23NO — CID 114728644

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-5-17-13(11-16(2,3)4)15-10-12-8-6-7-9-14(12)18-15/h6-10,13,17H,5,11H2,1-4H3
InChIKeyXNKWOOSHFRHXLI-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.52
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 114728644) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID114728644
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-5-17-13(11-16(2,3)4)15-10-12-8-6-7-9-14(12)18-15/h6-10,13,17H,5,11H2,1-4H3
InChIKeyXNKWOOSHFRHXLI-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
CID 114729538
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983956
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383510
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
CID 115836093

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 114728644) is 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is XNKWOOSHFRHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-17-13(11-16(2,3)4)15-10-12-8-6-7-9-14(12)18-15/h6-10,13,17H,5,11H2,1-4H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114728644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).