2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine

C18H29NO — CID 64661215

IUPAC2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(C(C)(C)CC(C)(C)C)cc2C1N
InChIInChI=1S/C18H29NO/c1-7-14-16(19)13-10-12(8-9-15(13)20-14)18(5,6)11-17(2,3)4/h8-10,14,16H,7,11,19H2,1-6H3
InChIKeyJLVYCNPWPVSRGM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.57
Rot. Bonds3

About 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64661215) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64661215
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(C(C)(C)CC(C)(C)C)cc2C1N
InChIInChI=1S/C18H29NO/c1-7-14-16(19)13-10-12(8-9-15(13)20-14)18(5,6)11-17(2,3)4/h8-10,14,16H,7,11,19H2,1-6H3
InChIKeyJLVYCNPWPVSRGM-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 64661215) is 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2ccc(C(C)(C)CC(C)(C)C)cc2C1N.
What is the InChIKey of 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JLVYCNPWPVSRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-14-16(19)13-10-12(8-9-15(13)20-14)18(5,6)11-17(2,3)4/h8-10,14,16H,7,11,19H2,1-6H3.
What are the key properties of 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 275.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64661215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).