1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine

C16H25F2N3 — CID 105243646

IUPAC1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(NN)c2ccc(F)c(F)c2)(N(C)C)C1
InChIInChI=1S/C16H25F2N3/c1-11-5-4-8-16(10-11,21(2)3)15(20-19)12-6-7-13(17)14(18)9-12/h6-7,9,11,15,20H,4-5,8,10,19H2,1-3H3
InChIKeyYGFTZVCRLBUMAX-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.98
Rot. Bonds4

About 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243646) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243646
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(NN)c2ccc(F)c(F)c2)(N(C)C)C1
InChIInChI=1S/C16H25F2N3/c1-11-5-4-8-16(10-11,21(2)3)15(20-19)12-6-7-13(17)14(18)9-12/h6-7,9,11,15,20H,4-5,8,10,19H2,1-3H3
InChIKeyYGFTZVCRLBUMAX-UHFFFAOYSA-N
XLogP2.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.98
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'}

Analyze 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-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

1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107560479
1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243737
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
3-[[1-(dimethylamino)-3-methylcyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243736
1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063225
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79075052
[(4-chlorophenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277509

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243646) is 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(NN)c2ccc(F)c(F)c2)(N(C)C)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is YGFTZVCRLBUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-11-5-4-8-16(10-11,21(2)3)15(20-19)12-6-7-13(17)14(18)9-12/h6-7,9,11,15,20H,4-5,8,10,19H2,1-3H3.
What are the key properties of 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).