N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine

C9H12BrF2NOS — CID 103081262

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCc1ccc(Br)s1
InChIInChI=1S/C9H12BrF2NOS/c10-8-2-1-7(15-8)5-13-3-4-14-6-9(11)12/h1-2,9,13H,3-6H2
InChIKeyAMWRANYHJBAEEF-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.88
Rot. Bonds7

About N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine

N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 103081262) has the molecular formula C9H12BrF2NOS and a molecular weight of 300.17 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
PubChem CID103081262
Molecular FormulaC9H12BrF2NOS
Molecular Weight300.17 g/mol
Exact Mass298.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCc1ccc(Br)s1
InChIInChI=1S/C9H12BrF2NOS/c10-8-2-1-7(15-8)5-13-3-4-14-6-9(11)12/h1-2,9,13H,3-6H2
InChIKeyAMWRANYHJBAEEF-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 103081163
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 114127458
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60743812
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103081048
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 103081001
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine (CID 103081262) is N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine is FC(F)COCCNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is AMWRANYHJBAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NOS/c10-8-2-1-7(15-8)5-13-3-4-14-6-9(11)12/h1-2,9,13H,3-6H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 300.17 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 103081262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).