N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine

C8H12BrNOS — CID 79595767

IUPACN-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cscc1Br
InChIInChI=1S/C8H12BrNOS/c1-11-3-2-10-4-7-5-12-6-8(7)9/h5-6,10H,2-4H2,1H3
InChIKeyCKDLRMRGOZRLEL-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.25
Rot. Bonds5

About N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine

N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine (PubChem CID 79595767) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine
PubChem CID79595767
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cscc1Br
InChIInChI=1S/C8H12BrNOS/c1-11-3-2-10-4-7-5-12-6-8(7)9/h5-6,10H,2-4H2,1H3
InChIKeyCKDLRMRGOZRLEL-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.25
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-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N'-[(2,4-dibromophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107938729
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43391894
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63059944
N-[[3-bromo-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058523
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
N-[[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63062514
N-[[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63060308
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine (CID 79595767) is N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine is COCCNCc1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is CKDLRMRGOZRLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-11-3-2-10-4-7-5-12-6-8(7)9/h5-6,10H,2-4H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine?
N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 250.16 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79595767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).