2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine

C22H29NO2S — CID 173367762

IUPAC2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine
SMILESCCCCc1oc2ccccc2c1-c1cscc1OCCN(CC)CC
InChIInChI=1S/C22H29NO2S/c1-4-7-11-20-22(17-10-8-9-12-19(17)25-20)18-15-26-16-21(18)24-14-13-23(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
InChIKeyAONFSNXVVLHQFI-UHFFFAOYSA-N
MW371.55 g/mol
LogP6.22
Rot. Bonds10

About 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine

2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine (PubChem CID 173367762) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine
PubChem CID173367762
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine
SMILESCCCCc1oc2ccccc2c1-c1cscc1OCCN(CC)CC
InChIInChI=1S/C22H29NO2S/c1-4-7-11-20-22(17-10-8-9-12-19(17)25-20)18-15-26-16-21(18)24-14-13-23(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
InChIKeyAONFSNXVVLHQFI-UHFFFAOYSA-N
XLogP6.22
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]thiophene-2-carbaldehyde;hydrochloride
CID 19902320
[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol
CID 70395375
3-(2-butyl-1-benzofuran-3-yl)-5-[2-(diethylamino)ethoxy]thiophene-2-carbaldehyde;hydrochloride
CID 19902324
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-2,5-bis(trifluoromethyl)phenyl]methanone
CID 71768882
3-(2-butyl-1-benzofuran-3-yl)-4-methoxybenzaldehyde
CID 163304136
3-(2-butyl-1-benzofuran-3-yl)-4-[4-[2-(diethylamino)ethoxy]phenyl]-2,2-dimethylbutanoic acid
CID 67831451
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
3-(2-butyl-1-benzofuran-3-yl)-5-(2-pyrrolidin-1-ylethoxy)thiophene-2-carbaldehyde;hydrochloride
CID 19902328
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine (CID 173367762) is 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine is CCCCc1oc2ccccc2c1-c1cscc1OCCN(CC)CC.
What is the InChIKey of 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine?
The InChIKey is AONFSNXVVLHQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-4-7-11-20-22(17-10-8-9-12-19(17)25-20)18-15-26-16-21(18)24-14-13-23(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3.
What are the key properties of 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine?
2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine has a molecular weight of 371.55 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 173367762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).