1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine

C15H23BrFNS — CID 65128761

IUPAC1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
SMILESCCCNC(CSCCC)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFNS/c1-3-7-18-14(11-19-8-4-2)10-12-9-13(16)5-6-15(12)17/h5-6,9,14,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyBIGOIBYGZYHABG-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.64
Rot. Bonds9

About 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine

1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine (PubChem CID 65128761) has the molecular formula C15H23BrFNS and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
PubChem CID65128761
Molecular FormulaC15H23BrFNS
Molecular Weight348.33 g/mol
Exact Mass347.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
SMILESCCCNC(CSCCC)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFNS/c1-3-7-18-14(11-19-8-4-2)10-12-9-13(16)5-6-15(12)17/h5-6,9,14,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyBIGOIBYGZYHABG-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225719
1-(3-bromo-4-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65129164
3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 63890254
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
1-(3-bromo-2,6-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 106267485
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine (CID 65128761) is 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine is CCCNC(CSCCC)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
The InChIKey is BIGOIBYGZYHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNS/c1-3-7-18-14(11-19-8-4-2)10-12-9-13(16)5-6-15(12)17/h5-6,9,14,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine has a molecular weight of 348.33 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).