N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine

C16H28FN3 — CID 105240807

IUPACN,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(CC)C(NN)c1ccc(F)c(C)c1
InChIInChI=1S/C16H28FN3/c1-6-16(5,20(7-2)8-3)15(19-18)13-9-10-14(17)12(4)11-13/h9-11,15,19H,6-8,18H2,1-5H3
InChIKeyQSXYIXYCLQJMQI-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.15
Rot. Bonds7

About N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine

N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine (PubChem CID 105240807) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
PubChem CID105240807
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC NameN,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(CC)C(NN)c1ccc(F)c(C)c1
InChIInChI=1S/C16H28FN3/c1-6-16(5,20(7-2)8-3)15(19-18)13-9-10-14(17)12(4)11-13/h9-11,15,19H,6-8,18H2,1-5H3
InChIKeyQSXYIXYCLQJMQI-UHFFFAOYSA-N
XLogP3.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.15
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

2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
CID 79059901
[2-ethoxy-1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105273981
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
1-(3,4-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239288
N,N-diethyl-1-(3-ethylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240787
N,N-diethyl-1-hydrazinyl-2-methyl-1-(2,4,5-trimethylphenyl)butan-2-amine
CID 105240936
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 106945368
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789
N,N-diethyl-3-(4-fluoro-3-methylphenyl)-3-hydrazinylpropan-1-amine
CID 105243974

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine?
The IUPAC name of N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine (CID 105240807) is N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine.
What is the SMILES notation for N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine?
The canonical SMILES for N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine is CCN(CC)C(C)(CC)C(NN)c1ccc(F)c(C)c1.
What is the InChIKey of N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine?
The InChIKey is QSXYIXYCLQJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-6-16(5,20(7-2)8-3)15(19-18)13-9-10-14(17)12(4)11-13/h9-11,15,19H,6-8,18H2,1-5H3.
What are the key properties of N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine?
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine is sourced from PubChem (CID 105240807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).