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

C19H31NO — CID 64661216

IUPAC2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(C(C)(C)CC(C)(C)C)cc2C1NC
InChIInChI=1S/C19H31NO/c1-8-15-17(20-7)14-11-13(9-10-16(14)21-15)19(5,6)12-18(2,3)4/h9-11,15,17,20H,8,12H2,1-7H3
InChIKeyKETCVUPAJRASOK-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.83
Rot. Bonds4

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

2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64661216) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64661216
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(C(C)(C)CC(C)(C)C)cc2C1NC
InChIInChI=1S/C19H31NO/c1-8-15-17(20-7)14-11-13(9-10-16(14)21-15)19(5,6)12-18(2,3)4/h9-11,15,17,20H,8,12H2,1-7H3
InChIKeyKETCVUPAJRASOK-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 64661216) is 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2ccc(C(C)(C)CC(C)(C)C)cc2C1NC.
What is the InChIKey of 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KETCVUPAJRASOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-8-15-17(20-7)14-11-13(9-10-16(14)21-15)19(5,6)12-18(2,3)4/h9-11,15,17,20H,8,12H2,1-7H3.
What are the key properties of 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 289.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64661216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).