[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine

C14H22BrFN4 — CID 105261300

IUPAC[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H22BrFN4/c1-19-6-3-7-20(2)13(9-19)14(18-17)11-8-10(15)4-5-12(11)16/h4-5,8,13-14,18H,3,6-7,9,17H2,1-2H3
InChIKeyRKVLAUGOQKUJNS-UHFFFAOYSA-N
MW345.26 g/mol
LogP1.73
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine

[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine (PubChem CID 105261300) has the molecular formula C14H22BrFN4 and a molecular weight of 345.26 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
PubChem CID105261300
Molecular FormulaC14H22BrFN4
Molecular Weight345.26 g/mol
Exact Mass344.10
IUPAC Name[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H22BrFN4/c1-19-6-3-7-20(2)13(9-19)14(18-17)11-8-10(15)4-5-12(11)16/h4-5,8,13-14,18H,3,6-7,9,17H2,1-2H3
InChIKeyRKVLAUGOQKUJNS-UHFFFAOYSA-N
XLogP1.73
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244468
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261189
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105261347
[2-(3-chloro-4-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 103044060
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79739614
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105261200
(3-bromo-2,6-difluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 106942947
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 107895279

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine (CID 105261300) is [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine is CN1CCCN(C)C(C(NN)c2cc(Br)ccc2F)C1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The InChIKey is RKVLAUGOQKUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN4/c1-19-6-3-7-20(2)13(9-19)14(18-17)11-8-10(15)4-5-12(11)16/h4-5,8,13-14,18H,3,6-7,9,17H2,1-2H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine has a molecular weight of 345.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105261300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).