1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine

C14H19NS — CID 115854470

IUPAC1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2ccccc2s1)C(C)(C)C
InChIInChI=1S/C14H19NS/c1-14(2,3)13(15-4)12-9-10-7-5-6-8-11(10)16-12/h5-9,13,15H,1-4H3
InChIKeyWCJNWCYFPLJIFF-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.21
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine

1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 115854470) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID115854470
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2ccccc2s1)C(C)(C)C
InChIInChI=1S/C14H19NS/c1-14(2,3)13(15-4)12-9-10-7-5-6-8-11(10)16-12/h5-9,13,15H,1-4H3
InChIKeyWCJNWCYFPLJIFF-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 61407065
N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 114909916
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800832
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine (CID 115854470) is 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc2ccccc2s1)C(C)(C)C.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is WCJNWCYFPLJIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-14(2,3)13(15-4)12-9-10-7-5-6-8-11(10)16-12/h5-9,13,15H,1-4H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine?
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 115854470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).