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

C10H16BrNS — CID 80668223

IUPAC2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCC(Br)CN(C)CCc1cccs1
InChIInChI=1S/C10H16BrNS/c1-9(11)8-12(2)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyLEUDRXCTYMSBMC-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.01
Rot. Bonds5

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

2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 80668223) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID80668223
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCC(Br)CN(C)CCc1cccs1
InChIInChI=1S/C10H16BrNS/c1-9(11)8-12(2)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyLEUDRXCTYMSBMC-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
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
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 80668223) is 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine is CC(Br)CN(C)CCc1cccs1.
What is the InChIKey of 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is LEUDRXCTYMSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-9(11)8-12(2)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine?
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 80668223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).