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

C13H20F3N3 — CID 105243943

IUPACN,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCN(CC)CCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H20F3N3/c1-3-19(4-2)8-7-11(18-17)9-5-6-10(14)13(16)12(9)15/h5-6,11,18H,3-4,7-8,17H2,1-2H3
InChIKeyKQJBMDNLUCKCLL-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.34
Rot. Bonds7

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

N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 105243943) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID105243943
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCN(CC)CCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H20F3N3/c1-3-19(4-2)8-7-11(18-17)9-5-6-10(14)13(16)12(9)15/h5-6,11,18H,3-4,7-8,17H2,1-2H3
InChIKeyKQJBMDNLUCKCLL-UHFFFAOYSA-N
XLogP2.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.34
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

3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
N,N-diethyl-3-(4-fluoro-3-methylphenyl)-3-hydrazinylpropan-1-amine
CID 105243974
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-2-methylphenyl)propan-1-amine
CID 105244209
N,N-diethyl-3-hydrazinyl-3-(2-methoxy-3,4-dimethylphenyl)propan-1-amine
CID 103436034
3-(2,4-dimethoxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244236
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
CID 105305658
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine (CID 105243943) is N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine is CCN(CC)CCC(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is KQJBMDNLUCKCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-3-19(4-2)8-7-11(18-17)9-5-6-10(14)13(16)12(9)15/h5-6,11,18H,3-4,7-8,17H2,1-2H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 105243943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).