1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C17H25NO2 — CID 107293682

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)C1OCCC1C
InChIInChI=1S/C17H25NO2/c1-11-7-8-19-16(11)15(18-4)12-5-6-14-13(9-12)17(2,3)10-20-14/h5-6,9,11,15-16,18H,7-8,10H2,1-4H3
InChIKeyKLVQTTFMMURHPV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.04
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 107293682) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID107293682
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)C1OCCC1C
InChIInChI=1S/C17H25NO2/c1-11-7-8-19-16(11)15(18-4)12-5-6-14-13(9-12)17(2,3)10-20-14/h5-6,9,11,15-16,18H,7-8,10H2,1-4H3
InChIKeyKLVQTTFMMURHPV-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107293748
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105301069
5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294248
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 107293669
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 107293642
3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 107293631
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methyl]ethanamine
CID 107293755
[2,3-dihydro-1-benzofuran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333925

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 107293682) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1ccc2c(c1)C(C)(C)CO2)C1OCCC1C.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is KLVQTTFMMURHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-7-8-19-16(11)15(18-4)12-5-6-14-13(9-12)17(2,3)10-20-14/h5-6,9,11,15-16,18H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 107293682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).