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

C17H27NO — CID 43297172

IUPAC2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
SMILESCCCCC(CC)C(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H27NO/c1-4-6-7-13(5-2)17(18)14-8-9-16-15(11-14)10-12(3)19-16/h8-9,11-13,17H,4-7,10,18H2,1-3H3
InChIKeyZBQJQRKZNZMOMA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds6

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

2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine (PubChem CID 43297172) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
PubChem CID43297172
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
SMILESCCCCC(CC)C(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H27NO/c1-4-6-7-13(5-2)17(18)14-8-9-16-15(11-14)10-12(3)19-16/h8-9,11-13,17H,4-7,10,18H2,1-3H3
InChIKeyZBQJQRKZNZMOMA-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
5-(1-chloroheptyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 114753527
5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 65428516
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 55199936

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine?
The IUPAC name of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine (CID 43297172) is 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine is CCCCC(CC)C(N)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine?
The InChIKey is ZBQJQRKZNZMOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-7-13(5-2)17(18)14-8-9-16-15(11-14)10-12(3)19-16/h8-9,11-13,17H,4-7,10,18H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine?
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 6 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)hexan-1-amine is sourced from PubChem (CID 43297172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).