4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C13H22BrNS — CID 81015944

IUPAC4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H22BrNS/c1-9(2)15-7-11(4)10(3)5-13-6-12(14)8-16-13/h6,8-11,15H,5,7H2,1-4H3
InChIKeyOYRNJVSDAPTOHD-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.32
Rot. Bonds6

About 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 81015944) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID81015944
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H22BrNS/c1-9(2)15-7-11(4)10(3)5-13-6-12(14)8-16-13/h6,8-11,15H,5,7H2,1-4H3
InChIKeyOYRNJVSDAPTOHD-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81015868
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108
1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046798
3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62343396
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 111422036

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 81015944) is 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)C(C)Cc1cc(Br)cs1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is OYRNJVSDAPTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-9(2)15-7-11(4)10(3)5-13-6-12(14)8-16-13/h6,8-11,15H,5,7H2,1-4H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 4.32, 6 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)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81015944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).