1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

C17H25NOS — CID 116720326

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

About 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (PubChem CID 116720326) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
PubChem CID116720326
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1csc2ccccc12)C(OC)C(C)C
InChIInChI=1S/C17H25NOS/c1-5-18-15(17(19-4)12(2)3)10-13-11-20-16-9-7-6-8-14(13)16/h6-9,11-12,15,17-18H,5,10H2,1-4H3
InChIKeyIVETUDNUAZBQDO-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

1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721185
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197341
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
[1-(1-benzothiophen-3-yl)-4-methoxypentan-2-yl]hydrazine
CID 105267059
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (CID 116720326) is 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is CCNC(Cc1csc2ccccc12)C(OC)C(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The InChIKey is IVETUDNUAZBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-5-18-15(17(19-4)12(2)3)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)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-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)-N-ethyl-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116720326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).