[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

C16H26FN3 — CID 105239692

IUPAC[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCc1cc(F)ccc1CC(NN)C(C)(C)N1CCCC1
InChIInChI=1S/C16H26FN3/c1-12-10-14(17)7-6-13(12)11-15(19-18)16(2,3)20-8-4-5-9-20/h6-7,10,15,19H,4-5,8-9,11,18H2,1-3H3
InChIKeyKBTTZJUBCOELPS-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.38
Rot. Bonds5

About [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (PubChem CID 105239692) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
PubChem CID105239692
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCc1cc(F)ccc1CC(NN)C(C)(C)N1CCCC1
InChIInChI=1S/C16H26FN3/c1-12-10-14(17)7-6-13(12)11-15(19-18)16(2,3)20-8-4-5-9-20/h6-7,10,15,19H,4-5,8-9,11,18H2,1-3H3
InChIKeyKBTTZJUBCOELPS-UHFFFAOYSA-N
XLogP2.38
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-fluoro-2-methylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105377853
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241193
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105377856
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239895
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216447
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
[1-(furan-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239574

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (CID 105239692) is [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is Cc1cc(F)ccc1CC(NN)C(C)(C)N1CCCC1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is KBTTZJUBCOELPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12-10-14(17)7-6-13(12)11-15(19-18)16(2,3)20-8-4-5-9-20/h6-7,10,15,19H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 279.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105239692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).