[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine

C16H26FN3O — CID 103397603

IUPAC[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1ccc(OC)cc1F)N1CCCC1
InChIInChI=1S/C16H26FN3O/c1-4-16(2,20-9-5-6-10-20)15(19-18)13-8-7-12(21-3)11-14(13)17/h7-8,11,15,19H,4-6,9-10,18H2,1-3H3
InChIKeyJTXLBNBVGDOEQF-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.60
Rot. Bonds6

About [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine

[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 103397603) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID103397603
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1ccc(OC)cc1F)N1CCCC1
InChIInChI=1S/C16H26FN3O/c1-4-16(2,20-9-5-6-10-20)15(19-18)13-8-7-12(21-3)11-14(13)17/h7-8,11,15,19H,4-6,9-10,18H2,1-3H3
InChIKeyJTXLBNBVGDOEQF-UHFFFAOYSA-N
XLogP2.60
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.60
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-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241349
[1-(4-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241337
[2-methyl-2-pyrrolidin-1-yl-1-(2,4,5-trimethylphenyl)butyl]hydrazine
CID 105241178
[1-(3,5-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241209
1-N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103395656
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
[1-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 103397813
[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105242208
[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274485
[2-ethoxy-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105256872
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (CID 103397603) is [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(C)(C(NN)c1ccc(OC)cc1F)N1CCCC1.
What is the InChIKey of [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is JTXLBNBVGDOEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-16(2,20-9-5-6-10-20)15(19-18)13-8-7-12(21-3)11-14(13)17/h7-8,11,15,19H,4-6,9-10,18H2,1-3H3.
What are the key properties of [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 295.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 103397603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).