3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine

C14H17BrN4 — CID 114015578

IUPAC3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
SMILESCc1ccc(C(Cc2cnccc2N)NN)c(Br)c1
InChIInChI=1S/C14H17BrN4/c1-9-2-3-11(12(15)6-9)14(19-17)7-10-8-18-5-4-13(10)16/h2-6,8,14,19H,7,17H2,1H3,(H2,16,18)
InChIKeyXCMFIWRDNSGDCG-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.48
Rot. Bonds4

About 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine

3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine (PubChem CID 114015578) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
PubChem CID114015578
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
SMILESCc1ccc(C(Cc2cnccc2N)NN)c(Br)c1
InChIInChI=1S/C14H17BrN4/c1-9-2-3-11(12(15)6-9)14(19-17)7-10-8-18-5-4-13(10)16/h2-6,8,14,19H,7,17H2,1H3,(H2,16,18)
InChIKeyXCMFIWRDNSGDCG-UHFFFAOYSA-N
XLogP2.48
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-bromo-4-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333676
[1-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284694
[2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105335180
3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
CID 105268247
[1-(2-bromo-4-methylphenyl)-2-(4-bromophenyl)ethyl]hydrazine
CID 105284383
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025
3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 114330482
3-[2-(2-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 107923831
[1-(2-bromo-4-methylphenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868674
[1-(2-bromo-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331264
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine (CID 114015578) is 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine is Cc1ccc(C(Cc2cnccc2N)NN)c(Br)c1.
What is the InChIKey of 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine?
The InChIKey is XCMFIWRDNSGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-9-2-3-11(12(15)6-9)14(19-17)7-10-8-18-5-4-13(10)16/h2-6,8,14,19H,7,17H2,1H3,(H2,16,18).
What are the key properties of 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine?
3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine is sourced from PubChem (CID 114015578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).