N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C16H20BrNOS — CID 80526264

IUPACN-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCCOc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C16H20BrNOS/c1-16(2,15-7-4-10-20-15)12-18-8-9-19-14-6-3-5-13(17)11-14/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyFGBWORBXEVMTNP-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526264) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID80526264
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCCOc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C16H20BrNOS/c1-16(2,15-7-4-10-20-15)12-18-8-9-19-14-6-3-5-13(17)11-14/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyFGBWORBXEVMTNP-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.46
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

2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
CID 80526261
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714667
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propylpentan-1-amine
CID 63509767
N-[2-(3-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
4-bromo-N-[2-(3-bromophenoxy)ethyl]butan-1-amine
CID 106844841
3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
CID 66169524
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
N-[2-(3-bromophenoxy)ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467776
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 80526264) is N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCCOc1cccc(Br)c1)c1cccs1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is FGBWORBXEVMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-16(2,15-7-4-10-20-15)12-18-8-9-19-14-6-3-5-13(17)11-14/h3-7,10-11,18H,8-9,12H2,1-2H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 354.31 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).