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

C12H19NO — CID 112715141

IUPAC1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
SMILESCCc1cc2c(o1)CCCC2C(C)N
InChIInChI=1S/C12H19NO/c1-3-9-7-11-10(8(2)13)5-4-6-12(11)14-9/h7-8,10H,3-6,13H2,1-2H3
InChIKeyOKMZOCPKTVKJTR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.61
Rot. Bonds2

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

1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine (PubChem CID 112715141) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
PubChem CID112715141
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
SMILESCCc1cc2c(o1)CCCC2C(C)N
InChIInChI=1S/C12H19NO/c1-3-9-7-11-10(8(2)13)5-4-6-12(11)14-9/h7-8,10H,3-6,13H2,1-2H3
InChIKeyOKMZOCPKTVKJTR-UHFFFAOYSA-N
XLogP2.61
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine with MolForge

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Related Compounds

2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 83907610
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine
CID 112716078
1-(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)ethanamine
CID 112715447
4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
CID 102384281
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
CID 112716095
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 83909092
2-ethyl-5-methyl-5,6-dihydro-4H-cyclopenta[b]furan-4-amine
CID 112714309
2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 82409419
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 83907612
4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 83907829
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
1-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82247422

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
The IUPAC name of 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine (CID 112715141) is 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
The canonical SMILES for 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine is CCc1cc2c(o1)CCCC2C(C)N.
What is the InChIKey of 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
The InChIKey is OKMZOCPKTVKJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-7-11-10(8(2)13)5-4-6-12(11)14-9/h7-8,10H,3-6,13H2,1-2H3.
What are the key properties of 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine is sourced from PubChem (CID 112715141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).