2-(3-bromo-4-ethylsulfanylphenyl)ethanamine

C10H14BrNS — CID 105424591

IUPAC2-(3-bromo-4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(CCN)cc1Br
InChIInChI=1S/C10H14BrNS/c1-2-13-10-4-3-8(5-6-12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyGSVUUBDDYAWEHR-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine

2-(3-bromo-4-ethylsulfanylphenyl)ethanamine (PubChem CID 105424591) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-ethylsulfanylphenyl)ethanamine
PubChem CID105424591
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-(3-bromo-4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(CCN)cc1Br
InChIInChI=1S/C10H14BrNS/c1-2-13-10-4-3-8(5-6-12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyGSVUUBDDYAWEHR-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-ethylsulfanylphenyl)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

(3-bromo-4-ethylsulfanylphenyl)methanamine
CID 82810180
(3-bromo-4-propylsulfanylphenyl)methanamine
CID 82810290
[3-bromo-4-(2-methylbutylsulfanyl)phenyl]methanamine
CID 107752055
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
2-[3-bromo-4-(3-ethylsulfanylpropoxy)phenyl]ethanamine
CID 113474019
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
2-[3-bromo-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 63422162
3-bromo-4-(2-methylbutylsulfanyl)aniline
CID 82841459
2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
2-(3-bromo-4-ethenylphenyl)ethanamine
CID 130050945

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine (CID 105424591) is 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine is CCSc1ccc(CCN)cc1Br.
What is the InChIKey of 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine?
The InChIKey is GSVUUBDDYAWEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-2-13-10-4-3-8(5-6-12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine?
2-(3-bromo-4-ethylsulfanylphenyl)ethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethylsulfanylphenyl)ethanamine is sourced from PubChem (CID 105424591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).