1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine

C18H29NO2 — CID 116761534

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(CC)(CC)OC
InChIInChI=1S/C18H29NO2/c1-5-11-19-17(18(6-2,7-3)20-4)15-8-9-16-14(13-15)10-12-21-16/h8-9,13,17,19H,5-7,10-12H2,1-4H3
InChIKeyOSCIQYPGMURBMS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.87
Rot. Bonds8

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine (PubChem CID 116761534) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
PubChem CID116761534
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(CC)(CC)OC
InChIInChI=1S/C18H29NO2/c1-5-11-19-17(18(6-2,7-3)20-4)15-8-9-16-14(13-15)10-12-21-16/h8-9,13,17,19H,5-7,10-12H2,1-4H3
InChIKeyOSCIQYPGMURBMS-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758114
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518674
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine (CID 116761534) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine is CCCNC(c1ccc2c(c1)CCO2)C(CC)(CC)OC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine?
The InChIKey is OSCIQYPGMURBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-11-19-17(18(6-2,7-3)20-4)15-8-9-16-14(13-15)10-12-21-16/h8-9,13,17,19H,5-7,10-12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.87, 8 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-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116761534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).