2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine

C17H22BrNOS — CID 63459385

IUPAC2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
SMILESCc1cc(C(C)(C)C)ccc1OC(CN)c1cc(Br)cs1
InChIInChI=1S/C17H22BrNOS/c1-11-7-12(17(2,3)4)5-6-14(11)20-15(9-19)16-8-13(18)10-21-16/h5-8,10,15H,9,19H2,1-4H3
InChIKeyNZOWJJOMXKAVIH-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.20
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine

2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine (PubChem CID 63459385) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
PubChem CID63459385
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
SMILESCc1cc(C(C)(C)C)ccc1OC(CN)c1cc(Br)cs1
InChIInChI=1S/C17H22BrNOS/c1-11-7-12(17(2,3)4)5-6-14(11)20-15(9-19)16-8-13(18)10-21-16/h5-8,10,15H,9,19H2,1-4H3
InChIKeyNZOWJJOMXKAVIH-UHFFFAOYSA-N
XLogP5.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromothiophen-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 63458594
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156
2-(4-bromothiophen-2-yl)-2-(2,3-difluorophenoxy)ethanamine
CID 63037613
[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol
CID 63652900
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine
CID 103283048
2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 63216997
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine (CID 63459385) is 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine is Cc1cc(C(C)(C)C)ccc1OC(CN)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine?
The InChIKey is NZOWJJOMXKAVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-11-7-12(17(2,3)4)5-6-14(11)20-15(9-19)16-8-13(18)10-21-16/h5-8,10,15H,9,19H2,1-4H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine?
2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine has a molecular weight of 368.34 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine is sourced from PubChem (CID 63459385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).