1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine

C16H19ClN2 — CID 19914707

IUPAC1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine
SMILESCC(C)c1ccc(N(N)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H19ClN2/c1-12(2)13-8-10-15(11-9-13)19(18)16(17)14-6-4-3-5-7-14/h3-12,16H,18H2,1-2H3
InChIKeyGCIGCDWSYHUYTQ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.43
Rot. Bonds4

About 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine

1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine (PubChem CID 19914707) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine.

Molecular Properties

Compound Name1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine
PubChem CID19914707
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine
SMILESCC(C)c1ccc(N(N)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H19ClN2/c1-12(2)13-8-10-15(11-9-13)19(18)16(17)14-6-4-3-5-7-14/h3-12,16H,18H2,1-2H3
InChIKeyGCIGCDWSYHUYTQ-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-1-(4-propan-2-ylphenyl)hydrazine
CID 146616359
azane;cumene;hydrochloride
CID 175202155
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
CID 174377533
CID 174377533
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;ethane
CID 54306132
cumene;2-methylpropane
CID 90828344
cumene;methanethiol
CID 170640582

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine?
The IUPAC name of 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine (CID 19914707) is 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine.
What is the SMILES notation for 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine?
The canonical SMILES for 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine is CC(C)c1ccc(N(N)C(Cl)c2ccccc2)cc1.
What is the InChIKey of 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine?
The InChIKey is GCIGCDWSYHUYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12(2)13-8-10-15(11-9-13)19(18)16(17)14-6-4-3-5-7-14/h3-12,16H,18H2,1-2H3.
What are the key properties of 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine?
1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine has a molecular weight of 274.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenyl)methyl]-1-(4-propan-2-ylphenyl)hydrazine is sourced from PubChem (CID 19914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).