N-(hydrazinylmethyl)-2-methoxy-N-methylaniline

C9H15N3O — CID 115260697

IUPACN-(hydrazinylmethyl)-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CNN
InChIInChI=1S/C9H15N3O/c1-12(7-11-10)8-5-3-4-6-9(8)13-2/h3-6,11H,7,10H2,1-2H3
InChIKeyGFRSYTDJPLKACS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.55
Rot. Bonds4

About N-(hydrazinylmethyl)-2-methoxy-N-methylaniline

N-(hydrazinylmethyl)-2-methoxy-N-methylaniline (PubChem CID 115260697) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-methoxy-N-methylaniline
PubChem CID115260697
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(hydrazinylmethyl)-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CNN
InChIInChI=1S/C9H15N3O/c1-12(7-11-10)8-5-3-4-6-9(8)13-2/h3-6,11H,7,10H2,1-2H3
InChIKeyGFRSYTDJPLKACS-UHFFFAOYSA-N
XLogP0.55
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.55
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

2-methoxy-N-methyl-N-propylaniline
CID 23198488
2,2,2-trichloroethyl N-[(2-methoxy-N-methylanilino)methyl]carbamate
CID 162411671
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
N-[(4-hydrazinyl-2-pyridinyl)methyl]-2-methoxy-N-methylaniline
CID 79260460
N-iodo-2-methoxy-N-methylaniline
CID 153134478
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63585839
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
N-ethyl-N'-(2-methoxyphenyl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070217
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62553756

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-methoxy-N-methylaniline?
The IUPAC name of N-(hydrazinylmethyl)-2-methoxy-N-methylaniline (CID 115260697) is N-(hydrazinylmethyl)-2-methoxy-N-methylaniline.
What is the SMILES notation for N-(hydrazinylmethyl)-2-methoxy-N-methylaniline?
The canonical SMILES for N-(hydrazinylmethyl)-2-methoxy-N-methylaniline is COc1ccccc1N(C)CNN.
What is the InChIKey of N-(hydrazinylmethyl)-2-methoxy-N-methylaniline?
The InChIKey is GFRSYTDJPLKACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(7-11-10)8-5-3-4-6-9(8)13-2/h3-6,11H,7,10H2,1-2H3.
What are the key properties of N-(hydrazinylmethyl)-2-methoxy-N-methylaniline?
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline has a molecular weight of 181.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-methoxy-N-methylaniline is sourced from PubChem (CID 115260697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).