2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine

C12H20BrNS — CID 83138413

IUPAC2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCNCC(Cc1sccc1Br)C(C)(C)C
InChIInChI=1S/C12H20BrNS/c1-12(2,3)9(8-14-4)7-11-10(13)5-6-15-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyHSASWYXKIJONAS-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.93
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine (PubChem CID 83138413) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
PubChem CID83138413
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCNCC(Cc1sccc1Br)C(C)(C)C
InChIInChI=1S/C12H20BrNS/c1-12(2,3)9(8-14-4)7-11-10(13)5-6-15-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyHSASWYXKIJONAS-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63521712
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62516456
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine (CID 83138413) is 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine is CNCC(Cc1sccc1Br)C(C)(C)C.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The InChIKey is HSASWYXKIJONAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-12(2,3)9(8-14-4)7-11-10(13)5-6-15-11/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83138413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).