N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine

C15H20N4O2 — CID 82055041

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
SMILESCOc1ccc(CCNc2ccc(NN)cn2)cc1OC
InChIInChI=1S/C15H20N4O2/c1-20-13-5-3-11(9-14(13)21-2)7-8-17-15-6-4-12(19-16)10-18-15/h3-6,9-10,19H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyIKKIJRRCIXGXGS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine (PubChem CID 82055041) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
PubChem CID82055041
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
SMILESCOc1ccc(CCNc2ccc(NN)cn2)cc1OC
InChIInChI=1S/C15H20N4O2/c1-20-13-5-3-11(9-14(13)21-2)7-8-17-15-6-4-12(19-16)10-18-15/h3-6,9-10,19H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyIKKIJRRCIXGXGS-UHFFFAOYSA-N
XLogP2.04
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
5-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 55281043
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine (CID 82055041) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine is COc1ccc(CCNc2ccc(NN)cn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine?
The InChIKey is IKKIJRRCIXGXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-13-5-3-11(9-14(13)21-2)7-8-17-15-6-4-12(19-16)10-18-15/h3-6,9-10,19H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine is sourced from PubChem (CID 82055041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).