N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine

C15H18BrNO2S — CID 83140848

IUPACN-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESCOc1cccc(Br)c1OCCNCCc1ccsc1
InChIInChI=1S/C15H18BrNO2S/c1-18-14-4-2-3-13(16)15(14)19-9-8-17-7-5-12-6-10-20-11-12/h2-4,6,10-11,17H,5,7-9H2,1H3
InChIKeyBPBJVBGHRANNCF-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.73
Rot. Bonds8

About N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine

N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 83140848) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
PubChem CID83140848
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC NameN-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESCOc1cccc(Br)c1OCCNCCc1ccsc1
InChIInChI=1S/C15H18BrNO2S/c1-18-14-4-2-3-13(16)15(14)19-9-8-17-7-5-12-6-10-20-11-12/h2-4,6,10-11,17H,5,7-9H2,1H3
InChIKeyBPBJVBGHRANNCF-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55088359
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 114677020
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55093367
N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
CID 82825014
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 63517711
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
CID 83141185

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine (CID 83140848) is N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine is COc1cccc(Br)c1OCCNCCc1ccsc1.
What is the InChIKey of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is BPBJVBGHRANNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-18-14-4-2-3-13(16)15(14)19-9-8-17-7-5-12-6-10-20-11-12/h2-4,6,10-11,17H,5,7-9H2,1H3.
What are the key properties of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 356.29 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 83140848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).