N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine

C10H16BrNOS — CID 102831713

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cc(Br)c(C)s1
InChIInChI=1S/C10H16BrNOS/c1-3-13-5-4-12-7-9-6-10(11)8(2)14-9/h6,12H,3-5,7H2,1-2H3
InChIKeyHUEKCKBPSKPVTJ-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.95
Rot. Bonds6

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine (PubChem CID 102831713) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
PubChem CID102831713
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cc(Br)c(C)s1
InChIInChI=1S/C10H16BrNOS/c1-3-13-5-4-12-7-9-6-10(11)8(2)14-9/h6,12H,3-5,7H2,1-2H3
InChIKeyHUEKCKBPSKPVTJ-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.95
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

2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol
CID 102831297
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830641
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(3-methylphenoxy)ethanamine
CID 102835122
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 106259683
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 102830826
3-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 102837191
1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 102834932
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylpentan-3-amine
CID 106328072
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 102831664
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine (CID 102831713) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine is CCOCCNCc1cc(Br)c(C)s1.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine?
The InChIKey is HUEKCKBPSKPVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-13-5-4-12-7-9-6-10(11)8(2)14-9/h6,12H,3-5,7H2,1-2H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine has a molecular weight of 278.21 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 102831713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).