1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C17H27NO2 — CID 103029496

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cccc2c1OCC2
InChIInChI=1S/C17H27NO2/c1-5-10-18-15(12-17(2,3)19-4)14-8-6-7-13-9-11-20-16(13)14/h6-8,15,18H,5,9-12H2,1-4H3
InChIKeyIWGJHSXANFZXDJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.48
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103029496) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103029496
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cccc2c1OCC2
InChIInChI=1S/C17H27NO2/c1-5-10-18-15(12-17(2,3)19-4)14-8-6-7-13-9-11-20-16(13)14/h6-8,15,18H,5,9-12H2,1-4H3
InChIKeyIWGJHSXANFZXDJ-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
N-[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]propan-1-amine
CID 114744963
N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114744925
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103029496) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is IWGJHSXANFZXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-10-18-15(12-17(2,3)19-4)14-8-6-7-13-9-11-20-16(13)14/h6-8,15,18H,5,9-12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103029496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).