N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine

C8H11Br2NOS — CID 80536287

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Br)c(Br)s1
InChIInChI=1S/C8H11Br2NOS/c1-12-3-2-11-5-6-4-7(9)8(10)13-6/h4,11H,2-3,5H2,1H3
InChIKeyAYWSEMSZEXFCRZ-UHFFFAOYSA-N
MW329.06 g/mol
LogP3.01
Rot. Bonds5

About N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine

N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine (PubChem CID 80536287) has the molecular formula C8H11Br2NOS and a molecular weight of 329.06 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
PubChem CID80536287
Molecular FormulaC8H11Br2NOS
Molecular Weight329.06 g/mol
Exact Mass326.89
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Br)c(Br)s1
InChIInChI=1S/C8H11Br2NOS/c1-12-3-2-11-5-6-4-7(9)8(10)13-6/h4,11H,2-3,5H2,1H3
InChIKeyAYWSEMSZEXFCRZ-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.06
LogP ≤ 53.01
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-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
N-[(4,5-dibromothiophen-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 102831295
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 102835841
2-[(4,5-dibromothiophen-2-yl)methylamino]-N-methylethanesulfonamide
CID 106333932
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenoxypropan-1-amine
CID 102835423
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218
N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 122165792
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102903881
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
CID 102831713

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine (CID 80536287) is N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine is COCCNCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is AYWSEMSZEXFCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NOS/c1-12-3-2-11-5-6-4-7(9)8(10)13-6/h4,11H,2-3,5H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine?
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 329.06 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 80536287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).