[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine

C17H20ClFN2 — CID 105212595

IUPAC[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)cc(CC(Cc2cccc(F)c2Cl)NN)c1
InChIInChI=1S/C17H20ClFN2/c1-11-6-12(2)8-13(7-11)9-15(21-20)10-14-4-3-5-16(19)17(14)18/h3-8,15,21H,9-10,20H2,1-2H3
InChIKeyPAJBXTRCXQELKH-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.71
Rot. Bonds5

About [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine

[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105212595) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
PubChem CID105212595
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)cc(CC(Cc2cccc(F)c2Cl)NN)c1
InChIInChI=1S/C17H20ClFN2/c1-11-6-12(2)8-13(7-11)9-15(21-20)10-14-4-3-5-16(19)17(14)18/h3-8,15,21H,9-10,20H2,1-2H3
InChIKeyPAJBXTRCXQELKH-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215085
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198841
[1-(2-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212582
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237086
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
[1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198260
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170767
[1-(4-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105197647
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine (CID 105212595) is [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine is Cc1cc(C)cc(CC(Cc2cccc(F)c2Cl)NN)c1.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is PAJBXTRCXQELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-11-6-12(2)8-13(7-11)9-15(21-20)10-14-4-3-5-16(19)17(14)18/h3-8,15,21H,9-10,20H2,1-2H3.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 306.81 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105212595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).