2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine

C13H21NO — CID 112716078

IUPAC2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine
SMILESCCc1cc2c(o1)C(C(C)CN)CCC2
InChIInChI=1S/C13H21NO/c1-3-11-7-10-5-4-6-12(9(2)8-14)13(10)15-11/h7,9,12H,3-6,8,14H2,1-2H3
InChIKeyVGERMLKTLZJNIW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine

2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine (PubChem CID 112716078) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine
PubChem CID112716078
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine
SMILESCCc1cc2c(o1)C(C(C)CN)CCC2
InChIInChI=1S/C13H21NO/c1-3-11-7-10-5-4-6-12(9(2)8-14)13(10)15-11/h7,9,12H,3-6,8,14H2,1-2H3
InChIKeyVGERMLKTLZJNIW-UHFFFAOYSA-N
XLogP2.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 83907612
2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 83907610
1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 112715141
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 82409419
2-(5-ethylfuran-2-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494690
2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine
CID 83907636
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504
(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 97304138
2-(5-ethylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62346543
N,2-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-7-amine
CID 83905480
2-(5-ethylfuran-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 62344941

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine?
The IUPAC name of 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine (CID 112716078) is 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine.
What is the SMILES notation for 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine?
The canonical SMILES for 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine is CCc1cc2c(o1)C(C(C)CN)CCC2.
What is the InChIKey of 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine?
The InChIKey is VGERMLKTLZJNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11-7-10-5-4-6-12(9(2)8-14)13(10)15-11/h7,9,12H,3-6,8,14H2,1-2H3.
What are the key properties of 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine?
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine is sourced from PubChem (CID 112716078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).