4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine

C12H20BrNS — CID 81018832

IUPAC4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCNC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNS/c1-9(2)14-7-6-10(3)8-11-4-5-12(13)15-11/h4-5,9-10,14H,6-8H2,1-3H3
InChIKeyIWQHCRLETWRNEO-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.08
Rot. Bonds6

About 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine

4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81018832) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81018832
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCNC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNS/c1-9(2)14-7-6-10(3)8-11-4-5-12(13)15-11/h4-5,9-10,14H,6-8H2,1-3H3
InChIKeyIWQHCRLETWRNEO-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-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

6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
CID 79411660
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 81018832) is 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(CCNC(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is IWQHCRLETWRNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-9(2)14-7-6-10(3)8-11-4-5-12(13)15-11/h4-5,9-10,14H,6-8H2,1-3H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81018832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).