1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine

C14H21NO — CID 114745358

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1cccc2c1OCC2
InChIInChI=1S/C14H21NO/c1-14(2,3)9-12(15)11-6-4-5-10-7-8-16-13(10)11/h4-6,12H,7-9,15H2,1-3H3
InChIKeyZYGIVDTWXKVIPG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine

1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine (PubChem CID 114745358) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
PubChem CID114745358
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1cccc2c1OCC2
InChIInChI=1S/C14H21NO/c1-14(2,3)9-12(15)11-6-4-5-10-7-8-16-13(10)11/h4-6,12H,7-9,15H2,1-3H3
InChIKeyZYGIVDTWXKVIPG-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
CID 105053313
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 114745726
[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine (CID 114745358) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)CC(N)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is ZYGIVDTWXKVIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)9-12(15)11-6-4-5-10-7-8-16-13(10)11/h4-6,12H,7-9,15H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114745358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).