N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine

C10H16BrNS — CID 62550442

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS/c1-10(2,3)12-5-4-9-6-8(11)7-13-9/h6-7,12H,4-5H2,1-3H3
InChIKeyARVZJMDEBKWBLF-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.44
Rot. Bonds3

About N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine

N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 62550442) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
PubChem CID62550442
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS/c1-10(2,3)12-5-4-9-6-8(11)7-13-9/h6-7,12H,4-5H2,1-3H3
InChIKeyARVZJMDEBKWBLF-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
CID 62530402
3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
CID 115155059
4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81015868
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009
4-[2-(4-bromothiophen-2-yl)ethylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164883
4-[2-(4-bromothiophen-2-yl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165281
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942
4-(4-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 82489193
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine (CID 62550442) is N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1cc(Br)cs1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is ARVZJMDEBKWBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-10(2,3)12-5-4-9-6-8(11)7-13-9/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 262.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62550442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).