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

C17H27NO — CID 43495473

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(CC)CC
InChIInChI=1S/C17H27NO/c1-4-10-18-17(13(5-2)6-3)15-7-8-16-14(12-15)9-11-19-16/h7-8,12-13,17-18H,4-6,9-11H2,1-3H3
InChIKeyLAHDISUZWMALIG-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds7

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 43495473) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID43495473
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(CC)CC
InChIInChI=1S/C17H27NO/c1-4-10-18-17(13(5-2)6-3)15-7-8-16-14(12-15)9-11-19-16/h7-8,12-13,17-18H,4-6,9-11H2,1-3H3
InChIKeyLAHDISUZWMALIG-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylsulfonyl-N-propylpropan-1-amine
CID 104518674
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
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-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
CID 116761534
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
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-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine (CID 43495473) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1ccc2c(c1)CCO2)C(CC)CC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is LAHDISUZWMALIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-18-17(13(5-2)6-3)15-7-8-16-14(12-15)9-11-19-16/h7-8,12-13,17-18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 7 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-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 43495473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).