[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C14H21F3N2O2 — CID 103436191

IUPAC[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCOc1c(C(CCOCC(F)(F)F)NN)ccc(C)c1C
InChIInChI=1S/C14H21F3N2O2/c1-9-4-5-11(13(20-3)10(9)2)12(19-18)6-7-21-8-14(15,16)17/h4-5,12,19H,6-8,18H2,1-3H3
InChIKeyHASCBHJNLJVZLP-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.79
Rot. Bonds7

About [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103436191) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103436191
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCOc1c(C(CCOCC(F)(F)F)NN)ccc(C)c1C
InChIInChI=1S/C14H21F3N2O2/c1-9-4-5-11(13(20-3)10(9)2)12(19-18)6-7-21-8-14(15,16)17/h4-5,12,19H,6-8,18H2,1-3H3
InChIKeyHASCBHJNLJVZLP-UHFFFAOYSA-N
XLogP2.79
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methoxy-3,4-dimethylphenyl)propan-1-amine
CID 103436034
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492
[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 102930027
1-(2,3-difluoro-4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 107513932
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
[1-(5-fluoro-2-methylphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929783
[1-(2-methoxy-3,4-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 103435894
[1-(2-methoxy-3,4-dimethylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 103435882
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475167

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103436191) is [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is COc1c(C(CCOCC(F)(F)F)NN)ccc(C)c1C.
What is the InChIKey of [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is HASCBHJNLJVZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9-4-5-11(13(20-3)10(9)2)12(19-18)6-7-21-8-14(15,16)17/h4-5,12,19H,6-8,18H2,1-3H3.
What are the key properties of [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103436191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).