[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine

C15H21BrF2N2O — CID 106271227

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
SMILESCOC1(C(Cc2c(F)ccc(Br)c2F)NN)CCCCC1
InChIInChI=1S/C15H21BrF2N2O/c1-21-15(7-3-2-4-8-15)13(20-19)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,20H,2-4,7-9,19H2,1H3
InChIKeyYFTPVKADOXPCJM-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.45
Rot. Bonds5

About [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine (PubChem CID 106271227) has the molecular formula C15H21BrF2N2O and a molecular weight of 363.25 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
PubChem CID106271227
Molecular FormulaC15H21BrF2N2O
Molecular Weight363.25 g/mol
Exact Mass362.08
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
SMILESCOC1(C(Cc2c(F)ccc(Br)c2F)NN)CCCCC1
InChIInChI=1S/C15H21BrF2N2O/c1-21-15(7-3-2-4-8-15)13(20-19)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,20H,2-4,7-9,19H2,1H3
InChIKeyYFTPVKADOXPCJM-UHFFFAOYSA-N
XLogP3.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
[2-(3-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275899
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
[2-(2-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276009
[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155
[2-(2,5-difluorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268629
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
[2-(3,5-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105413024

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine (CID 106271227) is [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine is COC1(C(Cc2c(F)ccc(Br)c2F)NN)CCCCC1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine?
The InChIKey is YFTPVKADOXPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2O/c1-21-15(7-3-2-4-8-15)13(20-19)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,20H,2-4,7-9,19H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine has a molecular weight of 363.25 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 106271227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).