3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine

C16H23NO — CID 166892612

IUPAC3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
SMILESCCCC(c1ccc2occc2c1)C(C)NCC
InChIInChI=1S/C16H23NO/c1-4-6-15(12(3)17-5-2)13-7-8-16-14(11-13)9-10-18-16/h7-12,15,17H,4-6H2,1-3H3
InChIKeyJHNLCYDUSVKFOA-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.31
Rot. Bonds6

About 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine

3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine (PubChem CID 166892612) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
PubChem CID166892612
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
SMILESCCCC(c1ccc2occc2c1)C(C)NCC
InChIInChI=1S/C16H23NO/c1-4-6-15(12(3)17-5-2)13-7-8-16-14(11-13)9-10-18-16/h7-12,15,17H,4-6H2,1-3H3
InChIKeyJHNLCYDUSVKFOA-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine?
The IUPAC name of 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine (CID 166892612) is 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine?
The canonical SMILES for 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine is CCCC(c1ccc2occc2c1)C(C)NCC.
What is the InChIKey of 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine?
The InChIKey is JHNLCYDUSVKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-6-15(12(3)17-5-2)13-7-8-16-14(11-13)9-10-18-16/h7-12,15,17H,4-6H2,1-3H3.
What are the key properties of 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine?
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine is sourced from PubChem (CID 166892612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).