2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide

C11H16ClN3O2 — CID 116848615

IUPAC2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
SMILESCOc1cc(C)c(CC(N)C(=O)NN)cc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-6-3-10(17-2)8(12)4-7(6)5-9(13)11(16)15-14/h3-4,9H,5,13-14H2,1-2H3,(H,15,16)
InChIKeyIDABGTMCHMRIDF-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide

2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide (PubChem CID 116848615) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide.

Molecular Properties

Compound Name2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
PubChem CID116848615
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
SMILESCOc1cc(C)c(CC(N)C(=O)NN)cc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-6-3-10(17-2)8(12)4-7(6)5-9(13)11(16)15-14/h3-4,9H,5,13-14H2,1-2H3,(H,15,16)
InChIKeyIDABGTMCHMRIDF-UHFFFAOYSA-N
XLogP0.52
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
CID 116848669
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
CID 116848579
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide?
The IUPAC name of 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide (CID 116848615) is 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide.
What is the SMILES notation for 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide?
The canonical SMILES for 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide is COc1cc(C)c(CC(N)C(=O)NN)cc1Cl.
What is the InChIKey of 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide?
The InChIKey is IDABGTMCHMRIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-6-3-10(17-2)8(12)4-7(6)5-9(13)11(16)15-14/h3-4,9H,5,13-14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide?
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide has a molecular weight of 257.72 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide is sourced from PubChem (CID 116848615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).