4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine

C14H24BrNS — CID 81015868

IUPAC4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)Cc1cc(Br)cs1
InChIInChI=1S/C14H24BrNS/c1-10(6-13-7-12(15)9-17-13)11(2)8-16-14(3,4)5/h7,9-11,16H,6,8H2,1-5H3
InChIKeyVFHCJPVVAPYVGQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.71
Rot. Bonds5

About 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine

4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine (PubChem CID 81015868) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
PubChem CID81015868
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)Cc1cc(Br)cs1
InChIInChI=1S/C14H24BrNS/c1-10(6-13-7-12(15)9-17-13)11(2)8-16-14(3,4)5/h7,9-11,16H,6,8H2,1-5H3
InChIKeyVFHCJPVVAPYVGQ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine with MolForge

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Related Compounds

4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-(tert-butylamino)propan-2-ol
CID 115475103
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine (CID 81015868) is 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine is CC(CNC(C)(C)C)C(C)Cc1cc(Br)cs1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine?
The InChIKey is VFHCJPVVAPYVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-10(6-13-7-12(15)9-17-13)11(2)8-16-14(3,4)5/h7,9-11,16H,6,8H2,1-5H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine?
4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine has a molecular weight of 318.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81015868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).