[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine

C14H23FN2OS — CID 105227140

IUPAC[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1ccc(OC)c(F)c1)NN
InChIInChI=1S/C14H23FN2OS/c1-4-10(2)19-9-12(17-16)7-11-5-6-14(18-3)13(15)8-11/h5-6,8,10,12,17H,4,7,9,16H2,1-3H3
InChIKeyXIJYWLAIMCBIND-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds8

About [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine

[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105227140) has the molecular formula C14H23FN2OS and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105227140
Molecular FormulaC14H23FN2OS
Molecular Weight286.42 g/mol
Exact Mass286.15
IUPAC Name[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1ccc(OC)c(F)c1)NN
InChIInChI=1S/C14H23FN2OS/c1-4-10(2)19-9-12(17-16)7-11-5-6-14(18-3)13(15)8-11/h5-6,8,10,12,17H,4,7,9,16H2,1-3H3
InChIKeyXIJYWLAIMCBIND-UHFFFAOYSA-N
XLogP2.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105227316
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
CID 105293002
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899852
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
3-(butan-2-ylamino)-4-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 82351137
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine (CID 105227140) is [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine is CCC(C)SCC(Cc1ccc(OC)c(F)c1)NN.
What is the InChIKey of [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is XIJYWLAIMCBIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2OS/c1-4-10(2)19-9-12(17-16)7-11-5-6-14(18-3)13(15)8-11/h5-6,8,10,12,17H,4,7,9,16H2,1-3H3.
What are the key properties of [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 286.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).