2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine

C16H17BrFNS — CID 66158848

IUPAC2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
SMILESCCNC(CSc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFNS/c1-2-19-16(12-6-8-14(18)9-7-12)11-20-15-5-3-4-13(17)10-15/h3-10,16,19H,2,11H2,1H3
InChIKeyBYUMQIYASSTMJT-UHFFFAOYSA-N
MW354.29 g/mol
LogP5.03
Rot. Bonds6

About 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine

2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine (PubChem CID 66158848) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
PubChem CID66158848
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC Name2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
SMILESCCNC(CSc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFNS/c1-2-19-16(12-6-8-14(18)9-7-12)11-20-15-5-3-4-13(17)10-15/h3-10,16,19H,2,11H2,1H3
InChIKeyBYUMQIYASSTMJT-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)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

N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66161400
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine (CID 66158848) is 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine is CCNC(CSc1cccc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine?
The InChIKey is BYUMQIYASSTMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c1-2-19-16(12-6-8-14(18)9-7-12)11-20-15-5-3-4-13(17)10-15/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine has a molecular weight of 354.29 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 66158848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).