1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine

C15H23NO — CID 55145401

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc2c(c1)COC2
InChIInChI=1S/C15H23NO/c1-3-5-6-15(16-4-2)12-7-8-13-10-17-11-14(13)9-12/h7-9,15-16H,3-6,10-11H2,1-2H3
InChIKeyRVOZSBHHFTVSKG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.56
Rot. Bonds6

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine (PubChem CID 55145401) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
PubChem CID55145401
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc2c(c1)COC2
InChIInChI=1S/C15H23NO/c1-3-5-6-15(16-4-2)12-7-8-13-10-17-11-14(13)9-12/h7-9,15-16H,3-6,10-11H2,1-2H3
InChIKeyRVOZSBHHFTVSKG-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
CID 63020243
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63019719
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 105055041
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63020070
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037474
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63020068
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine (CID 55145401) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine is CCCCC(NCC)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine?
The InChIKey is RVOZSBHHFTVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-6-15(16-4-2)12-7-8-13-10-17-11-14(13)9-12/h7-9,15-16H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 55145401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).