1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine

C16H25F2N3 — CID 105243487

IUPAC1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(NN)c2ccc(F)cc2F)(N(C)C)CC1
InChIInChI=1S/C16H25F2N3/c1-11-6-8-16(9-7-11,21(2)3)15(20-19)13-5-4-12(17)10-14(13)18/h4-5,10-11,15,20H,6-9,19H2,1-3H3
InChIKeyZXDGKMZNDAPYJU-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.98
Rot. Bonds4

About 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine

1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 105243487) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID105243487
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(NN)c2ccc(F)cc2F)(N(C)C)CC1
InChIInChI=1S/C16H25F2N3/c1-11-6-8-16(9-7-11,21(2)3)15(20-19)13-5-4-12(17)10-14(13)18/h4-5,10-11,15,20H,6-9,19H2,1-3H3
InChIKeyZXDGKMZNDAPYJU-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'}

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Related Compounds

1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
1-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062191
1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061551
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
[(4-tert-butylcyclohexyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105232729
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 105243487) is 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(NN)c2ccc(F)cc2F)(N(C)C)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is ZXDGKMZNDAPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-11-6-8-16(9-7-11,21(2)3)15(20-19)13-5-4-12(17)10-14(13)18/h4-5,10-11,15,20H,6-9,19H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-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-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).