1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine

C15H20FN3S — CID 79760890

IUPAC1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(N)CSc1ccc(F)cc1
InChIInChI=1S/C15H20FN3S/c1-2-8-19-9-7-18-15(19)10-13(17)11-20-14-5-3-12(16)4-6-14/h3-7,9,13H,2,8,10-11,17H2,1H3
InChIKeyKBYZXZRWZWOGBK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.09
Rot. Bonds7

About 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine

1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79760890) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79760890
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(N)CSc1ccc(F)cc1
InChIInChI=1S/C15H20FN3S/c1-2-8-19-9-7-18-15(19)10-13(17)11-20-14-5-3-12(16)4-6-14/h3-7,9,13H,2,8,10-11,17H2,1H3
InChIKeyKBYZXZRWZWOGBK-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66070569
1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79761391
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
[1-(2,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105216699
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79760890) is 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(N)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is KBYZXZRWZWOGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-2-8-19-9-7-18-15(19)10-13(17)11-20-14-5-3-12(16)4-6-14/h3-7,9,13H,2,8,10-11,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79760890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).