[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine

C17H20ClFN2 — CID 103043854

IUPAC[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
SMILESCC(C)(c1ccccc1)C(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C17H20ClFN2/c1-17(2,13-6-4-3-5-7-13)16(21-20)11-12-8-9-15(19)14(18)10-12/h3-10,16,21H,11,20H2,1-2H3
InChIKeyLTFLSSPANBMNNT-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.83
Rot. Bonds5

About [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine

[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine (PubChem CID 103043854) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
PubChem CID103043854
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
SMILESCC(C)(c1ccccc1)C(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C17H20ClFN2/c1-17(2,13-6-4-3-5-7-13)16(21-20)11-12-8-9-15(19)14(18)10-12/h3-10,16,21H,11,20H2,1-2H3
InChIKeyLTFLSSPANBMNNT-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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

(3-methyl-1,3-diphenylbutan-2-yl)hydrazine
CID 105216261
[1-(3,5-dimethylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216335
4-(2-hydrazinyl-3-methyl-3-phenylbutyl)pyridin-2-amine
CID 105216375
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
CID 63086067
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216447
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 103040194
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine (CID 103043854) is [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine is CC(C)(c1ccccc1)C(Cc1ccc(F)c(Cl)c1)NN.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine?
The InChIKey is LTFLSSPANBMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-17(2,13-6-4-3-5-7-13)16(21-20)11-12-8-9-15(19)14(18)10-12/h3-10,16,21H,11,20H2,1-2H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine has a molecular weight of 306.81 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine is sourced from PubChem (CID 103043854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).