N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine

C15H18BrNOS — CID 60700084

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNOS/c1-12(15-4-3-11-19-15)17(2)9-10-18-14-7-5-13(16)6-8-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyOTIBIOSSBXAKDF-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.58
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine

N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 60700084) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID60700084
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNOS/c1-12(15-4-3-11-19-15)17(2)9-10-18-14-7-5-13(16)6-8-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyOTIBIOSSBXAKDF-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63456679
3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
CID 54971662
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 63666886
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
1-(4-bromo-2-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 82777674
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62593126
3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
CID 5262090
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine (CID 60700084) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)CCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is OTIBIOSSBXAKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-12(15-4-3-11-19-15)17(2)9-10-18-14-7-5-13(16)6-8-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 60700084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).