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

C15H23NO — CID 65444946

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-3-14(16-4-2)7-5-12-6-8-15-13(11-12)9-10-17-15/h6,8,11,14,16H,3-5,7,9-10H2,1-2H3
InChIKeyIRDPCCJCOBBSCK-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine (PubChem CID 65444946) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
PubChem CID65444946
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-3-14(16-4-2)7-5-12-6-8-15-13(11-12)9-10-17-15/h6,8,11,14,16H,3-5,7,9-10H2,1-2H3
InChIKeyIRDPCCJCOBBSCK-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 115864534
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
CID 65445142
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pent-1-yn-3-amine
CID 106229543
1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 106692149
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
CID 65444594
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine (CID 65444946) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine is CCNC(CC)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine?
The InChIKey is IRDPCCJCOBBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-14(16-4-2)7-5-12-6-8-15-13(11-12)9-10-17-15/h6,8,11,14,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine is sourced from PubChem (CID 65444946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).