(2-tert-butyl-1-benzothiophen-7-yl)methanamine

C13H17NS — CID 84685176

IUPAC(2-tert-butyl-1-benzothiophen-7-yl)methanamine
SMILESCC(C)(C)c1cc2cccc(CN)c2s1
InChIInChI=1S/C13H17NS/c1-13(2,3)11-7-9-5-4-6-10(8-14)12(9)15-11/h4-7H,8,14H2,1-3H3
InChIKeyITZCDGHZUKQGLK-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.66
Rot. Bonds1

About (2-tert-butyl-1-benzothiophen-7-yl)methanamine

(2-tert-butyl-1-benzothiophen-7-yl)methanamine (PubChem CID 84685176) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is (2-tert-butyl-1-benzothiophen-7-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1-benzothiophen-7-yl)methanamine
PubChem CID84685176
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name(2-tert-butyl-1-benzothiophen-7-yl)methanamine
SMILESCC(C)(C)c1cc2cccc(CN)c2s1
InChIInChI=1S/C13H17NS/c1-13(2,3)11-7-9-5-4-6-10(8-14)12(9)15-11/h4-7H,8,14H2,1-3H3
InChIKeyITZCDGHZUKQGLK-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene
CID 170780824
2-tert-butylbenzo[f][1]benzothiole
CID 121274220
[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117183148
[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
CID 117183170
4,8-di(anthracen-9-yl)-2,6-ditert-butylthieno[2,3-f][1]benzothiole
CID 123474874
2-(2-methyl-1-benzothiophen-7-yl)ethanol
CID 12623874
2-(aminomethyl)-1-benzothiophen-7-amine
CID 84767706
2-tert-butyl-6-chloro-1-benzothiophene
CID 20747385
1,2,3-benzothiadiazol-7-ylmethanamine
CID 19784590
(8-methylnaphthalen-1-yl)methanamine
CID 58219649
(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine
CID 139905627

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1-benzothiophen-7-yl)methanamine?
The IUPAC name of (2-tert-butyl-1-benzothiophen-7-yl)methanamine (CID 84685176) is (2-tert-butyl-1-benzothiophen-7-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-1-benzothiophen-7-yl)methanamine?
The canonical SMILES for (2-tert-butyl-1-benzothiophen-7-yl)methanamine is CC(C)(C)c1cc2cccc(CN)c2s1.
What is the InChIKey of (2-tert-butyl-1-benzothiophen-7-yl)methanamine?
The InChIKey is ITZCDGHZUKQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-13(2,3)11-7-9-5-4-6-10(8-14)12(9)15-11/h4-7H,8,14H2,1-3H3.
What are the key properties of (2-tert-butyl-1-benzothiophen-7-yl)methanamine?
(2-tert-butyl-1-benzothiophen-7-yl)methanamine has a molecular weight of 219.35 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1-benzothiophen-7-yl)methanamine is sourced from PubChem (CID 84685176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).