3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine

C14H17BrN4 — CID 105279471

IUPAC3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
SMILESCc1cc(C(NN)c2cnccc2N)cc(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-8-5-10(6-9(2)13(8)15)14(19-17)11-7-18-4-3-12(11)16/h3-7,14,19H,17H2,1-2H3,(H2,16,18)
InChIKeyRWKWAYUTLKXHMP-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.60
Rot. Bonds3

About 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine

3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine (PubChem CID 105279471) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
PubChem CID105279471
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
SMILESCc1cc(C(NN)c2cnccc2N)cc(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-8-5-10(6-9(2)13(8)15)14(19-17)11-7-18-4-3-12(11)16/h3-7,14,19H,17H2,1-2H3,(H2,16,18)
InChIKeyRWKWAYUTLKXHMP-UHFFFAOYSA-N
XLogP2.60
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.60
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-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
3-[hydrazinyl-(2-methylphenyl)methyl]pyridin-4-amine
CID 105200409
[(3-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320502
3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105280899
3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
CID 103083626
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
3-[(4-ethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105197356
3-[hydrazinyl-(3-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 105209198
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
[(4-bromo-3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105279392
3-[(2-aminophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105223806

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine?
The IUPAC name of 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine (CID 105279471) is 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine.
What is the SMILES notation for 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine?
The canonical SMILES for 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine is Cc1cc(C(NN)c2cnccc2N)cc(C)c1Br.
What is the InChIKey of 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine?
The InChIKey is RWKWAYUTLKXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-8-5-10(6-9(2)13(8)15)14(19-17)11-7-18-4-3-12(11)16/h3-7,14,19H,17H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine?
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine is sourced from PubChem (CID 105279471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).