[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine

C16H24BrFN2 — CID 105231693

IUPAC[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
SMILESCC1(C)CCC(C(Cc2cc(F)cc(Br)c2)NN)CC1
InChIInChI=1S/C16H24BrFN2/c1-16(2)5-3-12(4-6-16)15(20-19)9-11-7-13(17)10-14(18)8-11/h7-8,10,12,15,20H,3-6,9,19H2,1-2H3
InChIKeySBMBDADNLVZCKS-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.18
Rot. Bonds4

About [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine

[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine (PubChem CID 105231693) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
PubChem CID105231693
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
SMILESCC1(C)CCC(C(Cc2cc(F)cc(Br)c2)NN)CC1
InChIInChI=1S/C16H24BrFN2/c1-16(2)5-3-12(4-6-16)15(20-19)9-11-7-13(17)10-14(18)8-11/h7-8,10,12,15,20H,3-6,9,19H2,1-2H3
InChIKeySBMBDADNLVZCKS-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.18
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

[2-(3-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107194437
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
[2-(4-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 107895103
[2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105206697
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
[2-(4-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231866
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
[2-(3-bromo-5-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105324822
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine (CID 105231693) is [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine is CC1(C)CCC(C(Cc2cc(F)cc(Br)c2)NN)CC1.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine?
The InChIKey is SBMBDADNLVZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-16(2)5-3-12(4-6-16)15(20-19)9-11-7-13(17)10-14(18)8-11/h7-8,10,12,15,20H,3-6,9,19H2,1-2H3.
What are the key properties of [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine?
[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine has a molecular weight of 343.28 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 105231693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).