1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine

C17H25NOS — CID 116721185

IUPAC1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1csc2ccccc12)NC
InChIInChI=1S/C17H25NOS/c1-5-19-17(12(2)3)15(18-4)10-13-11-20-16-9-7-6-8-14(13)16/h6-9,11-12,15,17-18H,5,10H2,1-4H3
InChIKeyXZRPHKQNQHYYSB-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.09
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine

1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine (PubChem CID 116721185) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
PubChem CID116721185
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1csc2ccccc12)NC
InChIInChI=1S/C17H25NOS/c1-5-19-17(12(2)3)15(18-4)10-13-11-20-16-9-7-6-8-14(13)16/h6-9,11-12,15,17-18H,5,10H2,1-4H3
InChIKeyXZRPHKQNQHYYSB-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723414
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720326
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
3-[2-(1-bromoethyl)-3-methylbutyl]-1-benzothiophene
CID 55231292

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine (CID 116721185) is 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine is CCOC(C(C)C)C(Cc1csc2ccccc12)NC.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The InChIKey is XZRPHKQNQHYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-5-19-17(12(2)3)15(18-4)10-13-11-20-16-9-7-6-8-14(13)16/h6-9,11-12,15,17-18H,5,10H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine?
1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116721185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).