N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine

C10H15Br2NOS — CID 102830644

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NOS/c1-2-14-5-3-4-13-7-8-6-9(11)10(12)15-8/h6,13H,2-5,7H2,1H3
InChIKeyHYPYBRITBOHTQN-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.79
Rot. Bonds7

About N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine (PubChem CID 102830644) has the molecular formula C10H15Br2NOS and a molecular weight of 357.11 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
PubChem CID102830644
Molecular FormulaC10H15Br2NOS
Molecular Weight357.11 g/mol
Exact Mass354.92
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NOS/c1-2-14-5-3-4-13-7-8-6-9(11)10(12)15-8/h6,13H,2-5,7H2,1H3
InChIKeyHYPYBRITBOHTQN-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.79
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-bromo-5-chlorothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830641
N-[(4,5-dibromothiophen-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 102831295
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
CID 102831713
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenoxypropan-1-amine
CID 102835423
N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 102835841
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenylpropan-1-amine
CID 102830835
2-[(4,5-dibromothiophen-2-yl)methylamino]-N-methylethanesulfonamide
CID 106333932
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460897
3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115693948
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 115587033

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine (CID 102830644) is N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is HYPYBRITBOHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NOS/c1-2-14-5-3-4-13-7-8-6-9(11)10(12)15-8/h6,13H,2-5,7H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 357.11 g/mol, XLogP of 3.79, 7 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]-3-ethoxypropan-1-amine is sourced from PubChem (CID 102830644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).