2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine

C14H13BrFNS — CID 55018489

IUPAC2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESNCC(Sc1ccccc1F)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFNS/c15-11-5-3-4-10(8-11)14(9-17)18-13-7-2-1-6-12(13)16/h1-8,14H,9,17H2
InChIKeyWBNCXOIAWRZLDV-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine

2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 55018489) has the molecular formula C14H13BrFNS and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID55018489
Molecular FormulaC14H13BrFNS
Molecular Weight326.23 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESNCC(Sc1ccccc1F)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFNS/c15-11-5-3-4-10(8-11)14(9-17)18-13-7-2-1-6-12(13)16/h1-8,14H,9,17H2
InChIKeyWBNCXOIAWRZLDV-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine 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-(3-bromophenyl)-2-(4-tert-butylphenyl)sulfanylethanamine
CID 63539247
2-(3-bromophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 115382936
2-(3-bromophenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225543
2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62255249
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
CID 62804598
1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052300
2-(4-bromophenyl)sulfanyl-2-(3-chlorophenyl)ethanamine
CID 55019714
2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875603
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine (CID 55018489) is 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine is NCC(Sc1ccccc1F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is WBNCXOIAWRZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNS/c15-11-5-3-4-10(8-11)14(9-17)18-13-7-2-1-6-12(13)16/h1-8,14H,9,17H2.
What are the key properties of 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine?
2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 326.23 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 55018489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).