4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine

C14H19NO — CID 80703561

IUPAC4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1coc2ccccc12
InChIInChI=1S/C14H19NO/c1-3-15-11(2)8-9-12-10-16-14-7-5-4-6-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyBKAKBWFQUSTMEZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.36
Rot. Bonds5

About 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine

4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine (PubChem CID 80703561) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
PubChem CID80703561
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1coc2ccccc12
InChIInChI=1S/C14H19NO/c1-3-15-11(2)8-9-12-10-16-14-7-5-4-6-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyBKAKBWFQUSTMEZ-UHFFFAOYSA-N
XLogP3.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206607
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
3-[[2,6-bis(3-methylbutyl)phenyl]methyl]-1-benzofuran
CID 122129977
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine (CID 80703561) is 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine is CCNC(C)CCc1coc2ccccc12.
What is the InChIKey of 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine?
The InChIKey is BKAKBWFQUSTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15-11(2)8-9-12-10-16-14-7-5-4-6-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine?
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 80703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).