3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine

C11H16F3N3 — CID 105259088

IUPAC3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCN(C)CCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H16F3N3/c1-17(2)6-5-9(16-15)7-3-4-8(12)11(14)10(7)13/h3-4,9,16H,5-6,15H2,1-2H3
InChIKeyJYWBYBXVNVKFMQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.56
Rot. Bonds5

About 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine

3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 105259088) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID105259088
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCN(C)CCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H16F3N3/c1-17(2)6-5-9(16-15)7-3-4-8(12)11(14)10(7)13/h3-4,9,16H,5-6,15H2,1-2H3
InChIKeyJYWBYBXVNVKFMQ-UHFFFAOYSA-N
XLogP1.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943
3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259286
3-(2,6-difluoro-3-methylphenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259156
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 107513729
[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105308798
3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105259265
[3-pyridin-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305710
3-(2,3-dimethylphenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259123
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
CID 105305658

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine (CID 105259088) is 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine is CN(C)CCC(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is JYWBYBXVNVKFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-17(2)6-5-9(16-15)7-3-4-8(12)11(14)10(7)13/h3-4,9,16H,5-6,15H2,1-2H3.
What are the key properties of 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 105259088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).