1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

C15H22BrF2N3 — CID 106945372

IUPAC1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(NN)c2c(F)ccc(Br)c2F)CCCCC1
InChIInChI=1S/C15H22BrF2N3/c1-21(2)15(8-4-3-5-9-15)14(20-19)12-11(17)7-6-10(16)13(12)18/h6-7,14,20H,3-5,8-9,19H2,1-2H3
InChIKeyOOOKDLLHLCJEKR-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.50
Rot. Bonds4

About 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 106945372) has the molecular formula C15H22BrF2N3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID106945372
Molecular FormulaC15H22BrF2N3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(NN)c2c(F)ccc(Br)c2F)CCCCC1
InChIInChI=1S/C15H22BrF2N3/c1-21(2)15(8-4-3-5-9-15)14(20-19)12-11(17)7-6-10(16)13(12)18/h6-7,14,20H,3-5,8-9,19H2,1-2H3
InChIKeyOOOKDLLHLCJEKR-UHFFFAOYSA-N
XLogP3.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.50
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'}

Analyze 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 106945625
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216
1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106942748
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (CID 106945372) is 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(NN)c2c(F)ccc(Br)c2F)CCCCC1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is OOOKDLLHLCJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2N3/c1-21(2)15(8-4-3-5-9-15)14(20-19)12-11(17)7-6-10(16)13(12)18/h6-7,14,20H,3-5,8-9,19H2,1-2H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 362.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106945372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).