2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol

C12H19Br2NOS — CID 106252242

IUPAC2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H19Br2NOS/c1-3-12(4-2,8-16)7-15-6-9-5-10(13)11(14)17-9/h5,15-16H,3-4,6-8H2,1-2H3
InChIKeyIYPPHNXHIRULPA-UHFFFAOYSA-N
MW385.17 g/mol
LogP4.16
Rot. Bonds7

About 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol

2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 106252242) has the molecular formula C12H19Br2NOS and a molecular weight of 385.17 g/mol. Its IUPAC name is 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID106252242
Molecular FormulaC12H19Br2NOS
Molecular Weight385.17 g/mol
Exact Mass382.96
IUPAC Name2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H19Br2NOS/c1-3-12(4-2,8-16)7-15-6-9-5-10(13)11(14)17-9/h5,15-16H,3-4,6-8H2,1-2H3
InChIKeyIYPPHNXHIRULPA-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857745
3-[(5-Bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857818
3-[(4-Bromo-5-methylthiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106172892
3-[(4,5-Dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173029
n-((5-Bromothiophen-2-yl)methyl)-3-ethoxypropan-1-amine
CID 16259086
1-[(5-Bromothiophen-2-yl)methylamino]-3-ethylhex-5-en-3-ol
CID 134232817
(5-Bromothiophen-2-yl)methyl-(2-hydroxyethyl)-propylazanium
CID 6938414
[(5-Bromothiophen-2-yl)methyl](3-methoxypropyl)amine
CID 28674165
N-[(5-bromothiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681847
3-{[(5-Bromothiophen-2-yl)methyl]amino}propan-1-ol
CID 28715400
(2S)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724338
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340

Frequently Asked Questions

What is the IUPAC name of 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol (CID 106252242) is 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCc1cc(Br)c(Br)s1.
What is the InChIKey of 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is IYPPHNXHIRULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NOS/c1-3-12(4-2,8-16)7-15-6-9-5-10(13)11(14)17-9/h5,15-16H,3-4,6-8H2,1-2H3.
What are the key properties of 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol?
2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 385.17 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106252242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).