2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine

C12H10Cl3NOS — CID 55021133

IUPAC2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
SMILESNCC(Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C12H10Cl3NOS/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
InChIKeyOZRDNTTYSPWMBP-UHFFFAOYSA-N
MW322.64 g/mol
LogP4.79
Rot. Bonds4

About 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine

2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine (PubChem CID 55021133) has the molecular formula C12H10Cl3NOS and a molecular weight of 322.64 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
PubChem CID55021133
Molecular FormulaC12H10Cl3NOS
Molecular Weight322.64 g/mol
Exact Mass320.95
IUPAC Name2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
SMILESNCC(Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C12H10Cl3NOS/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
InChIKeyOZRDNTTYSPWMBP-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.64
LogP ≤ 54.79
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-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
CID 107656089
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 18926314
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 65127349
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-thiophen-2-ylethanamine
CID 102714299
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine?
The IUPAC name of 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine (CID 55021133) is 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine?
The canonical SMILES for 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine is NCC(Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine?
The InChIKey is OZRDNTTYSPWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NOS/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-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine?
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine has a molecular weight of 322.64 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine is sourced from PubChem (CID 55021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).