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

C12H20BrNS — CID 81015481

IUPAC4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)C(C)Cc1cc(Br)cs1
InChIInChI=1S/C12H20BrNS/c1-4-14-7-10(3)9(2)5-12-6-11(13)8-15-12/h6,8-10,14H,4-5,7H2,1-3H3
InChIKeySFELXNCQAYXQQU-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.93
Rot. Bonds6

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

4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 81015481) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID81015481
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)C(C)Cc1cc(Br)cs1
InChIInChI=1S/C12H20BrNS/c1-4-14-7-10(3)9(2)5-12-6-11(13)8-15-12/h6,8-10,14H,4-5,7H2,1-3H3
InChIKeySFELXNCQAYXQQU-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
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-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
CID 62530402
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 111422036
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 81015481) is 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)C(C)Cc1cc(Br)cs1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is SFELXNCQAYXQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-4-14-7-10(3)9(2)5-12-6-11(13)8-15-12/h6,8-10,14H,4-5,7H2,1-3H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 3.93, 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)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81015481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).