[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine

C15H21BrF2N2 — CID 107541415

IUPAC[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
SMILESCC1CC(C)CC(C(NN)c2ccc(F)c(F)c2Br)C1
InChIInChI=1S/C15H21BrF2N2/c1-8-5-9(2)7-10(6-8)15(20-19)11-3-4-12(17)14(18)13(11)16/h3-4,8-10,15,20H,5-7,19H2,1-2H3
InChIKeyCFGOXTXSFMFSJA-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.30
Rot. Bonds3

About [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine

[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 107541415) has the molecular formula C15H21BrF2N2 and a molecular weight of 347.25 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
PubChem CID107541415
Molecular FormulaC15H21BrF2N2
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
SMILESCC1CC(C)CC(C(NN)c2ccc(F)c(F)c2Br)C1
InChIInChI=1S/C15H21BrF2N2/c1-8-5-9(2)7-10(6-8)15(20-19)11-3-4-12(17)14(18)13(11)16/h3-4,8-10,15,20H,5-7,19H2,1-2H3
InChIKeyCFGOXTXSFMFSJA-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312280
1-(2-bromo-3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 107539161
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
CID 107541167
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 106649075
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
[(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105312105
N-[(2-bromo-3,4-difluorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107539188
[(2-bromo-3-fluorophenyl)-cyclopropylmethyl]hydrazine
CID 105314529
[(2,3-dichlorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312173

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine (CID 107541415) is [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine is CC1CC(C)CC(C(NN)c2ccc(F)c(F)c2Br)C1.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is CFGOXTXSFMFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2/c1-8-5-9(2)7-10(6-8)15(20-19)11-3-4-12(17)14(18)13(11)16/h3-4,8-10,15,20H,5-7,19H2,1-2H3.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 347.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 107541415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).