1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine

C13H19NO — CID 43198411

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/c1-13(2,3)12(14)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12H,6-7,14H2,1-3H3
InChIKeyDPRFXNWOBPHESY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds1

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine (PubChem CID 43198411) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
PubChem CID43198411
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/c1-13(2,3)12(14)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12H,6-7,14H2,1-3H3
InChIKeyDPRFXNWOBPHESY-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113425110
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 104542557
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660691
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171247194
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 104542676
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine (CID 43198411) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is DPRFXNWOBPHESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12(14)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12H,6-7,14H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 1 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-5-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43198411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).