2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine

C15H15BrFNS — CID 66055898

IUPAC2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNS/c1-18-15(11-3-2-4-13(17)9-11)10-19-14-7-5-12(16)6-8-14/h2-9,15,18H,10H2,1H3
InChIKeyDDZJECQFGQPYRK-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.64
Rot. Bonds5

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

2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine (PubChem CID 66055898) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
PubChem CID66055898
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNS/c1-18-15(11-3-2-4-13(17)9-11)10-19-14-7-5-12(16)6-8-14/h2-9,15,18H,10H2,1H3
InChIKeyDDZJECQFGQPYRK-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
CID 66054713
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 66056292
2-(4-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66057090
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine (CID 66055898) is 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine is CNC(CSc1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is DDZJECQFGQPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-18-15(11-3-2-4-13(17)9-11)10-19-14-7-5-12(16)6-8-14/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine?
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 340.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 66055898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).