[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine

C14H21F3N2O2 — CID 102930027

IUPAC[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCOCCOCCC(NN)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H21F3N2O2/c1-10-9-11(14(15,16)17)3-4-12(10)13(19-18)5-6-21-8-7-20-2/h3-4,9,13,19H,5-8,18H2,1-2H3
InChIKeyVCMJKGTWMQVXNH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.57
Rot. Bonds8

About [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine

[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 102930027) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID102930027
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCOCCOCCC(NN)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H21F3N2O2/c1-10-9-11(14(15,16)17)3-4-12(10)13(19-18)5-6-21-8-7-20-2/h3-4,9,13,19H,5-8,18H2,1-2H3
InChIKeyVCMJKGTWMQVXNH-UHFFFAOYSA-N
XLogP2.57
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.57
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

[3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)propyl]hydrazine
CID 102930044
[1-(5-fluoro-2-methylphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929783
[1-(2-fluoro-4-methoxyphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 103397694
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-phenylethyl]hydrazine
CID 102759408
1-[2-methyl-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-amine
CID 102758716
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191
3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 102928240
[1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methoxyethyl]hydrazine
CID 105250282
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
[1-(3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930056
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine (CID 102930027) is [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine is COCCOCCC(NN)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is VCMJKGTWMQVXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-10-9-11(14(15,16)17)3-4-12(10)13(19-18)5-6-21-8-7-20-2/h3-4,9,13,19H,5-8,18H2,1-2H3.
What are the key properties of [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 102930027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).