1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

C16H25F2N3 — CID 107516442

IUPAC1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1ccc(C(NN)C2(N(C)C)CCCCC2)c(F)c1F
InChIInChI=1S/C16H25F2N3/c1-11-7-8-12(14(18)13(11)17)15(20-19)16(21(2)3)9-5-4-6-10-16/h7-8,15,20H,4-6,9-10,19H2,1-3H3
InChIKeyPQKYDRWTEQJZFI-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.04
Rot. Bonds4

About 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 107516442) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID107516442
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1ccc(C(NN)C2(N(C)C)CCCCC2)c(F)c1F
InChIInChI=1S/C16H25F2N3/c1-11-7-8-12(14(18)13(11)17)15(20-19)16(21(2)3)9-5-4-6-10-16/h7-8,15,20H,4-6,9-10,19H2,1-3H3
InChIKeyPQKYDRWTEQJZFI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
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-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
CID 105242617
1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243796
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065985
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
3-[[1-(dimethylamino)cyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243374
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (CID 107516442) is 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is Cc1ccc(C(NN)C2(N(C)C)CCCCC2)c(F)c1F.
What is the InChIKey of 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is PQKYDRWTEQJZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-11-7-8-12(14(18)13(11)17)15(20-19)16(21(2)3)9-5-4-6-10-16/h7-8,15,20H,4-6,9-10,19H2,1-3H3.
What are the key properties of 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107516442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).