N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine

C13H23N3O — CID 115261266

IUPACN-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
SMILESCOc1cc(C)c(C)cc1CCN(C)CNN
InChIInChI=1S/C13H23N3O/c1-10-7-12(5-6-16(3)9-15-14)13(17-4)8-11(10)2/h7-8,15H,5-6,9,14H2,1-4H3
InChIKeyTUJPLBAJQDSDDP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.21
Rot. Bonds6

About N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine

N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine (PubChem CID 115261266) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
PubChem CID115261266
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
SMILESCOc1cc(C)c(C)cc1CCN(C)CNN
InChIInChI=1S/C13H23N3O/c1-10-7-12(5-6-16(3)9-15-14)13(17-4)8-11(10)2/h7-8,15H,5-6,9,14H2,1-4H3
InChIKeyTUJPLBAJQDSDDP-UHFFFAOYSA-N
XLogP1.21
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260949
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115207906
2-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]ethanethiol
CID 115224385
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115261264
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 115140161

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine (CID 115261266) is N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine is COc1cc(C)c(C)cc1CCN(C)CNN.
What is the InChIKey of N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is TUJPLBAJQDSDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-7-12(5-6-16(3)9-15-14)13(17-4)8-11(10)2/h7-8,15H,5-6,9,14H2,1-4H3.
What are the key properties of N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115261266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).