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

C18H19NO2 — CID 106701175

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NC1COc2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2)17(13-8-4-6-10-16(13)21-18)19-14-11-20-15-9-5-3-7-12(14)15/h3-10,14,17,19H,11H2,1-2H3
InChIKeyLFRHVGDCSNQENV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds2

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

N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701175) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701175
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NC1COc2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2)17(13-8-4-6-10-16(13)21-18)19-14-11-20-15-9-5-3-7-12(14)15/h3-10,14,17,19H,11H2,1-2H3
InChIKeyLFRHVGDCSNQENV-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701101
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 103561957
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 115418421
N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115400823
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701175) is N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is LFRHVGDCSNQENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)17(13-8-4-6-10-16(13)21-18)19-14-11-20-15-9-5-3-7-12(14)15/h3-10,14,17,19H,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).