2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine

C16H17BrFNS — CID 106848642

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(N)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H17BrFNS/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(17)5-8-15(12)18/h3-9,16H,2,10,19H2,1H3
InChIKeyPHNOJZLHPWUJAD-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.94
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine (PubChem CID 106848642) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine
PubChem CID106848642
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(N)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H17BrFNS/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(17)5-8-15(12)18/h3-9,16H,2,10,19H2,1H3
InChIKeyPHNOJZLHPWUJAD-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
4-[(5-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66234398
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
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CID 107952664

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine (CID 106848642) is 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine is CCSc1ccc(C(N)Cc2cc(Br)ccc2F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine?
The InChIKey is PHNOJZLHPWUJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(17)5-8-15(12)18/h3-9,16H,2,10,19H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine has a molecular weight of 354.29 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine is sourced from PubChem (CID 106848642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).