2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine

C12H10BrCl2NOS — CID 107656089

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
SMILESNCC(Oc1cc(Cl)c(Br)cc1Cl)c1cccs1
InChIInChI=1S/C12H10BrCl2NOS/c13-7-4-9(15)10(5-8(7)14)17-11(6-16)12-2-1-3-18-12/h1-5,11H,6,16H2
InChIKeyMEXQZDYNNBEMTJ-UHFFFAOYSA-N
MW367.10 g/mol
LogP4.90
Rot. Bonds4

About 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine

2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine (PubChem CID 107656089) has the molecular formula C12H10BrCl2NOS and a molecular weight of 367.10 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
PubChem CID107656089
Molecular FormulaC12H10BrCl2NOS
Molecular Weight367.10 g/mol
Exact Mass364.90
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
SMILESNCC(Oc1cc(Cl)c(Br)cc1Cl)c1cccs1
InChIInChI=1S/C12H10BrCl2NOS/c13-7-4-9(15)10(5-8(7)14)17-11(6-16)12-2-1-3-18-12/h1-5,11H,6,16H2
InChIKeyMEXQZDYNNBEMTJ-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.10
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-thiophen-2-ylethanamine
CID 102714299
3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 18926314
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 65127349
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2-[1-(2-bromo-4-fluorophenoxy)-3-chloropropyl]thiophene
CID 150171619
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine (CID 107656089) is 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine is NCC(Oc1cc(Cl)c(Br)cc1Cl)c1cccs1.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine?
The InChIKey is MEXQZDYNNBEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NOS/c13-7-4-9(15)10(5-8(7)14)17-11(6-16)12-2-1-3-18-12/h1-5,11H,6,16H2.
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine?
2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine has a molecular weight of 367.10 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 107656089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).