2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine

C12H20BrNS — CID 83139108

IUPAC2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCNCC(Cc1cc(Br)cs1)C(C)(C)C
InChIInChI=1S/C12H20BrNS/c1-12(2,3)9(7-14-4)5-11-6-10(13)8-15-11/h6,8-9,14H,5,7H2,1-4H3
InChIKeyUNAHGMKBOZVEGC-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.93
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine (PubChem CID 83139108) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
PubChem CID83139108
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCNCC(Cc1cc(Br)cs1)C(C)(C)C
InChIInChI=1S/C12H20BrNS/c1-12(2,3)9(7-14-4)5-11-6-10(13)8-15-11/h6,8-9,14H,5,7H2,1-4H3
InChIKeyUNAHGMKBOZVEGC-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

4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81015868
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
2-N-[(4-bromothiophen-2-yl)methyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62431153
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine (CID 83139108) is 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine is CNCC(Cc1cc(Br)cs1)C(C)(C)C.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The InChIKey is UNAHGMKBOZVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-12(2,3)9(7-14-4)5-11-6-10(13)8-15-11/h6,8-9,14H,5,7H2,1-4H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
2-[(4-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-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83139108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).