2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol

C15H21NOS — CID 168764081

IUPAC2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol
SMILESCNC(C1CCC1)C(O)c1ccc2c(c1)CCS2
InChIInChI=1S/C15H21NOS/c1-16-14(10-3-2-4-10)15(17)12-5-6-13-11(9-12)7-8-18-13/h5-6,9-10,14-17H,2-4,7-8H2,1H3
InChIKeyPCBILANAJBMAPM-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.76
Rot. Bonds4

About 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol

2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol (PubChem CID 168764081) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol
PubChem CID168764081
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol
SMILESCNC(C1CCC1)C(O)c1ccc2c(c1)CCS2
InChIInChI=1S/C15H21NOS/c1-16-14(10-3-2-4-10)15(17)12-5-6-13-11(9-12)7-8-18-13/h5-6,9-10,14-17H,2-4,7-8H2,1H3
InChIKeyPCBILANAJBMAPM-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylbutan-2-amine
CID 168764108
(2S)-2-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)acetic acid
CID 70567084
N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine
CID 116950660
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951094
3-chloro-2-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylpropan-1-amine
CID 168764149
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
CID 168764187
2-(3,4-dihydro-2H-thiochromen-6-yl)butan-1-ol
CID 116964166
2,3-dihydro-1-benzothiophen-5-ol
CID 11367101
2-(2,3-dihydro-1-benzothiophen-5-yl)-3-(methylamino)butane-1,2-diol
CID 168764012

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol (CID 168764081) is 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol is CNC(C1CCC1)C(O)c1ccc2c(c1)CCS2.
What is the InChIKey of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol?
The InChIKey is PCBILANAJBMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-16-14(10-3-2-4-10)15(17)12-5-6-13-11(9-12)7-8-18-13/h5-6,9-10,14-17H,2-4,7-8H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol?
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol has a molecular weight of 263.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 168764081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).