2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine

C17H20FNS — CID 116544598

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)CSc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNS/c1-2-4-13-5-3-6-14(11-13)17(19)12-20-16-9-7-15(18)8-10-16/h3,5-11,17H,2,4,12,19H2,1H3
InChIKeyBWDFNMBVVFWSQD-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.57
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine

2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine (PubChem CID 116544598) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
PubChem CID116544598
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)CSc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNS/c1-2-4-13-5-3-6-14(11-13)17(19)12-20-16-9-7-15(18)8-10-16/h3,5-11,17H,2,4,12,19H2,1H3
InChIKeyBWDFNMBVVFWSQD-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
[2-(4-methylphenyl)sulfanyl-1-(3-propylphenyl)ethyl]hydrazine
CID 105237001
1-(3-propylphenyl)ethanamine
CID 116543909
2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol
CID 116543668
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
[(4-ethylsulfanylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 106850521
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine (CID 116544598) is 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(N)CSc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine?
The InChIKey is BWDFNMBVVFWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-2-4-13-5-3-6-14(11-13)17(19)12-20-16-9-7-15(18)8-10-16/h3,5-11,17H,2,4,12,19H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine?
2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116544598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).