[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine

C15H21F3N2O — CID 105286260

IUPAC[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H21F3N2O/c1-21-13-7-5-10(6-8-13)14(20-19)11-3-2-4-12(9-11)15(16,17)18/h5-8,11-12,14,20H,2-4,9,19H2,1H3
InChIKeySHQQIQCNUSQJSK-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.57
Rot. Bonds4

About [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine

[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (PubChem CID 105286260) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
PubChem CID105286260
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H21F3N2O/c1-21-13-7-5-10(6-8-13)14(20-19)11-3-2-4-12(9-11)15(16,17)18/h5-8,11-12,14,20H,2-4,9,19H2,1H3
InChIKeySHQQIQCNUSQJSK-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.57
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

[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
[(3-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105194279
(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
[(2-ethylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307255
(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082
[(3-methylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313580
[(2-propylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307031
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The IUPAC name of [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (CID 105286260) is [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is COc1ccc(C(NN)C2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The InChIKey is SHQQIQCNUSQJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-21-13-7-5-10(6-8-13)14(20-19)11-3-2-4-12(9-11)15(16,17)18/h5-8,11-12,14,20H,2-4,9,19H2,1H3.
What are the key properties of [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine has a molecular weight of 302.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 105286260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).