1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine

C13H22BrNS — CID 60996976

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCc1ccc(Br)s1)C(C)(C)C
InChIInChI=1S/C13H22BrNS/c1-5-15-11(13(2,3)4)8-6-10-7-9-12(14)16-10/h7,9,11,15H,5-6,8H2,1-4H3
InChIKeyVEBNPACNJKIVOJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.47
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine

1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine (PubChem CID 60996976) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine
PubChem CID60996976
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCc1ccc(Br)s1)C(C)(C)C
InChIInChI=1S/C13H22BrNS/c1-5-15-11(13(2,3)4)8-6-10-7-9-12(14)16-10/h7,9,11,15H,5-6,8H2,1-4H3
InChIKeyVEBNPACNJKIVOJ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156009947
2-bromo-N-(4-phenylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156018376
N-methyl-1-(1-(thiophen-2-yl)cyclohexyl)ethan-1-amine
CID 68673941
2-[(5-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55082775
2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 55083157
2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 55083254
1-(5-bromothiophen-2-yl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 55095219
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 62514551
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515277
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600355
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62601699

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine (CID 60996976) is 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine is CCNC(CCc1ccc(Br)s1)C(C)(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The InChIKey is VEBNPACNJKIVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-5-15-11(13(2,3)4)8-6-10-7-9-12(14)16-10/h7,9,11,15H,5-6,8H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine has a molecular weight of 304.30 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 60996976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).