3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline

C16H21NOS — CID 55060246

IUPAC3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
SMILESCCC(C)Oc1cccc(NC(C)c2ccsc2)c1
InChIInChI=1S/C16H21NOS/c1-4-12(2)18-16-7-5-6-15(10-16)17-13(3)14-8-9-19-11-14/h5-13,17H,4H2,1-3H3
InChIKeyFGTKPLFIDPBSKR-UHFFFAOYSA-N
MW275.42 g/mol
LogP5.10
Rot. Bonds6

About 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline

3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 55060246) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
PubChem CID55060246
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
SMILESCCC(C)Oc1cccc(NC(C)c2ccsc2)c1
InChIInChI=1S/C16H21NOS/c1-4-12(2)18-16-7-5-6-15(10-16)17-13(3)14-8-9-19-11-14/h5-13,17H,4H2,1-3H3
InChIKeyFGTKPLFIDPBSKR-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
CID 62091231
3-butan-2-yloxy-N-[1-(3-chlorophenyl)ethyl]aniline
CID 63476598
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
N-ethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032381
3-[(2S)-butan-2-yl]oxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 129367586
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63753113
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
N,N-dimethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032863
N-(1-thiophen-3-ylethyl)pyridin-3-amine
CID 62090458
methyl 3-(3-butan-2-yloxyanilino)-2-methylbutanoate
CID 79398224

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline (CID 55060246) is 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline is CCC(C)Oc1cccc(NC(C)c2ccsc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is FGTKPLFIDPBSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-12(2)18-16-7-5-6-15(10-16)17-13(3)14-8-9-19-11-14/h5-13,17H,4H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline?
3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 275.42 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 55060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).