N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine

C11H18BrNS — CID 115712476

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS/c1-8(2)9(3)13-7-6-10-4-5-11(12)14-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyBXOOYIGLMHPYQN-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 115712476) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
PubChem CID115712476
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS/c1-8(2)9(3)13-7-6-10-4-5-11(12)14-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyBXOOYIGLMHPYQN-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879121
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine (CID 115712476) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is BXOOYIGLMHPYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-8(2)9(3)13-7-6-10-4-5-11(12)14-10/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 276.24 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115712476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).