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

C15H23NO — CID 66393308

IUPACN-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
SMILESCCNCCCCC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H23NO/c1-3-16-9-5-4-6-14-11-13-10-12(2)7-8-15(13)17-14/h7-8,10,14,16H,3-6,9,11H2,1-2H3
InChIKeyJCWPAMSJAXQXMT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.08
Rot. Bonds6

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

N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 66393308) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
PubChem CID66393308
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
SMILESCCNCCCCC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H23NO/c1-3-16-9-5-4-6-14-11-13-10-12(2)7-8-15(13)17-14/h7-8,10,14,16H,3-6,9,11H2,1-2H3
InChIKeyJCWPAMSJAXQXMT-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine (CID 66393308) is N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine is CCNCCCCC1Cc2cc(C)ccc2O1.
What is the InChIKey of N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is JCWPAMSJAXQXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16-9-5-4-6-14-11-13-10-12(2)7-8-15(13)17-14/h7-8,10,14,16H,3-6,9,11H2,1-2H3.
What are the key properties of N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 66393308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).