[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine

C16H19ClN2 — CID 114028417

IUPAC[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
SMILESCc1cc(Cl)ccc1C(CCc1ccccc1)NN
InChIInChI=1S/C16H19ClN2/c1-12-11-14(17)8-9-15(12)16(19-18)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,16,19H,7,10,18H2,1H3
InChIKeyXIVXQYGRGUNSFB-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.79
Rot. Bonds5

About [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine

[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine (PubChem CID 114028417) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
PubChem CID114028417
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
SMILESCc1cc(Cl)ccc1C(CCc1ccccc1)NN
InChIInChI=1S/C16H19ClN2/c1-12-11-14(17)8-9-15(12)16(19-18)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,16,19H,7,10,18H2,1H3
InChIKeyXIVXQYGRGUNSFB-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.79
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-(2,4-dichlorophenyl)-3-phenylpropyl]hydrazine
CID 105285831
[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
[1-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 114028413
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
[1-(4-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105193229
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
[1-(2-chloro-4-fluorophenyl)-3-phenylpropyl]hydrazine
CID 105215295
[1-(2,5-dichlorophenyl)-4-phenylbutyl]hydrazine
CID 105299790
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
CID 114030517
[2-(5-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethyl]hydrazine
CID 114028450
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine?
The IUPAC name of [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine (CID 114028417) is [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine is Cc1cc(Cl)ccc1C(CCc1ccccc1)NN.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine?
The InChIKey is XIVXQYGRGUNSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-11-14(17)8-9-15(12)16(19-18)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,16,19H,7,10,18H2,1H3.
What are the key properties of [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine?
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine has a molecular weight of 274.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine is sourced from PubChem (CID 114028417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).