1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine

C15H23BrFNS — CID 79709297

IUPAC1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H23BrFNS/c1-5-18-14(10-19-15(2,3)4)8-11-6-12(16)9-13(17)7-11/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyZINHZFMSVOXRAA-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.64
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine

1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine (PubChem CID 79709297) has the molecular formula C15H23BrFNS and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
PubChem CID79709297
Molecular FormulaC15H23BrFNS
Molecular Weight348.33 g/mol
Exact Mass347.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H23BrFNS/c1-5-18-14(10-19-15(2,3)4)8-11-6-12(16)9-13(17)7-11/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyZINHZFMSVOXRAA-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)-N-propylpropan-2-amine
CID 105406268
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79708988
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine (CID 79709297) is 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC(C)(C)C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is ZINHZFMSVOXRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNS/c1-5-18-14(10-19-15(2,3)4)8-11-6-12(16)9-13(17)7-11/h6-7,9,14,18H,5,8,10H2,1-4H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 348.33 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 79709297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).