2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine

C11H18BrNOS — CID 80690433

IUPAC2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCOCC(Br)CN(C)CCc1cccs1
InChIInChI=1S/C11H18BrNOS/c1-13(8-10(12)9-14-2)6-5-11-4-3-7-15-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyYJOMICDXWFRZDF-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.63
Rot. Bonds7

About 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine

2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 80690433) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID80690433
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCOCC(Br)CN(C)CCc1cccs1
InChIInChI=1S/C11H18BrNOS/c1-13(8-10(12)9-14-2)6-5-11-4-3-7-15-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyYJOMICDXWFRZDF-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 103224820
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
2-bromo-3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 80690277
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-bromo-3-methoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644425

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 80690433) is 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine is COCC(Br)CN(C)CCc1cccs1.
What is the InChIKey of 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is YJOMICDXWFRZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-13(8-10(12)9-14-2)6-5-11-4-3-7-15-11/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 292.24 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 80690433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).