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

C16H25F2N3 — CID 105243846

IUPAC1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(NN)c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C16H25F2N3/c1-21(2)16(9-5-3-4-6-10-16)15(20-19)13-8-7-12(17)11-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyDFXWNGHXNPVUDB-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.12
Rot. Bonds4

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

1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243846) 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-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243846
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(NN)c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C16H25F2N3/c1-21(2)16(9-5-3-4-6-10-16)15(20-19)13-8-7-12(17)11-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyDFXWNGHXNPVUDB-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243487
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105278412
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (CID 105243846) is 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(NN)c2ccc(F)cc2F)CCCCCC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is DFXWNGHXNPVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-21(2)16(9-5-3-4-6-10-16)15(20-19)13-8-7-12(17)11-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 3.12, 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-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).