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

C18H29NO — CID 43498124

IUPAC2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)CC(C)O2)C(CC)CC
InChIInChI=1S/C18H29NO/c1-5-10-19-18(14(6-2)7-3)15-8-9-17-16(12-15)11-13(4)20-17/h8-9,12-14,18-19H,5-7,10-11H2,1-4H3
InChIKeyKUXJIFMBIXHESG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds7

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

2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine (PubChem CID 43498124) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
PubChem CID43498124
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)CC(C)O2)C(CC)CC
InChIInChI=1S/C18H29NO/c1-5-10-19-18(14(6-2)7-3)15-8-9-17-16(12-15)11-13(4)20-17/h8-9,12-14,18-19H,5-7,10-11H2,1-4H3
InChIKeyKUXJIFMBIXHESG-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330623
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43498090
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
N-[1,4-dioxan-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62805438
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 43498094
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine (CID 43498124) is 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine is CCCNC(c1ccc2c(c1)CC(C)O2)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine?
The InChIKey is KUXJIFMBIXHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-10-19-18(14(6-2)7-3)15-8-9-17-16(12-15)11-13(4)20-17/h8-9,12-14,18-19H,5-7,10-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine?
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 43498124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).