2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine

C14H18FN3S — CID 66070569

IUPAC2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(N)CSc1ccc(F)cc1
InChIInChI=1S/C14H18FN3S/c1-2-8-18-9-7-17-14(18)13(16)10-19-12-5-3-11(15)4-6-12/h3-7,9,13H,2,8,10,16H2,1H3
InChIKeyJSADRRGWSXXORI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.22
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine

2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine (PubChem CID 66070569) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
PubChem CID66070569
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(N)CSc1ccc(F)cc1
InChIInChI=1S/C14H18FN3S/c1-2-8-18-9-7-17-14(18)13(16)10-19-12-5-3-11(15)4-6-12/h3-7,9,13H,2,8,10,16H2,1H3
InChIKeyJSADRRGWSXXORI-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66052890
1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760890
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
CID 66070414
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 82805348
(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63976478
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine (CID 66070569) is 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1C(N)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is JSADRRGWSXXORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-2-8-18-9-7-17-14(18)13(16)10-19-12-5-3-11(15)4-6-12/h3-7,9,13H,2,8,10,16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 66070569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).