1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

C15H23BrFN3 — CID 106649216

IUPAC1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(NN)c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C15H23BrFN3/c1-20(2)15(9-4-3-5-10-15)14(19-18)11-7-6-8-12(16)13(11)17/h6-8,14,19H,3-5,9-10,18H2,1-2H3
InChIKeyZESPORGVWNBJDX-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.36
Rot. Bonds4

About 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 106649216) has the molecular formula C15H23BrFN3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID106649216
Molecular FormulaC15H23BrFN3
Molecular Weight344.27 g/mol
Exact Mass343.11
IUPAC Name1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(NN)c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C15H23BrFN3/c1-20(2)15(9-4-3-5-10-15)14(19-18)11-7-6-8-12(16)13(11)17/h6-8,14,19H,3-5,9-10,18H2,1-2H3
InChIKeyZESPORGVWNBJDX-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830781
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
CID 106831073
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (CID 106649216) is 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(NN)c2cccc(Br)c2F)CCCCC1.
What is the InChIKey of 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is ZESPORGVWNBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3/c1-20(2)15(9-4-3-5-10-15)14(19-18)11-7-6-8-12(16)13(11)17/h6-8,14,19H,3-5,9-10,18H2,1-2H3.
What are the key properties of 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 344.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106649216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).