N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine

C16H22FN3S — CID 66053103

IUPACN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(CSc1ccccc1F)NCC
InChIInChI=1S/C16H22FN3S/c1-3-10-20-11-9-19-16(20)14(18-4-2)12-21-15-8-6-5-7-13(15)17/h5-9,11,14,18H,3-4,10,12H2,1-2H3
InChIKeyFLNSKEGBHLHWTH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.88
Rot. Bonds8

About N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine

N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine (PubChem CID 66053103) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
PubChem CID66053103
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(CSc1ccccc1F)NCC
InChIInChI=1S/C16H22FN3S/c1-3-10-20-11-9-19-16(20)14(18-4-2)12-21-15-8-6-5-7-13(15)17/h5-9,11,14,18H,3-4,10,12H2,1-2H3
InChIKeyFLNSKEGBHLHWTH-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.88
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
[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66053102
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
CID 66096354
N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 105148894
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine (CID 66053103) is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1C(CSc1ccccc1F)NCC.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is FLNSKEGBHLHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-3-10-20-11-9-19-16(20)14(18-4-2)12-21-15-8-6-5-7-13(15)17/h5-9,11,14,18H,3-4,10,12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine?
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 307.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 66053103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).