N-methoxy-2-(methoxymethyl)-5-methylaniline

C10H15NO2 — CID 126676119

IUPACN-methoxy-2-(methoxymethyl)-5-methylaniline
SMILESCOCc1ccc(C)cc1NOC
InChIInChI=1S/C10H15NO2/c1-8-4-5-9(7-12-2)10(6-8)11-13-3/h4-6,11H,7H2,1-3H3
InChIKeyAPOSZYIKEZUMSQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.11
Rot. Bonds4

About N-methoxy-2-(methoxymethyl)-5-methylaniline

N-methoxy-2-(methoxymethyl)-5-methylaniline (PubChem CID 126676119) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-methoxy-2-(methoxymethyl)-5-methylaniline.

Molecular Properties

Compound NameN-methoxy-2-(methoxymethyl)-5-methylaniline
PubChem CID126676119
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-methoxy-2-(methoxymethyl)-5-methylaniline
SMILESCOCc1ccc(C)cc1NOC
InChIInChI=1S/C10H15NO2/c1-8-4-5-9(7-12-2)10(6-8)11-13-3/h4-6,11H,7H2,1-3H3
InChIKeyAPOSZYIKEZUMSQ-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
2-methoxy-1-(methoxymethyl)-4-(4-methylphenyl)benzene
CID 143812993
2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
CID 62306735
(2-hydrazinyl-4-methylphenyl)methanol
CID 118803713
[2-(tert-butylamino)-4-methylphenyl]methoxymethanethiol
CID 88822166
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(methoxymethyl)-5-methylaniline?
The IUPAC name of N-methoxy-2-(methoxymethyl)-5-methylaniline (CID 126676119) is N-methoxy-2-(methoxymethyl)-5-methylaniline.
What is the SMILES notation for N-methoxy-2-(methoxymethyl)-5-methylaniline?
The canonical SMILES for N-methoxy-2-(methoxymethyl)-5-methylaniline is COCc1ccc(C)cc1NOC.
What is the InChIKey of N-methoxy-2-(methoxymethyl)-5-methylaniline?
The InChIKey is APOSZYIKEZUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-4-5-9(7-12-2)10(6-8)11-13-3/h4-6,11H,7H2,1-3H3.
What are the key properties of N-methoxy-2-(methoxymethyl)-5-methylaniline?
N-methoxy-2-(methoxymethyl)-5-methylaniline has a molecular weight of 181.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(methoxymethyl)-5-methylaniline is sourced from PubChem (CID 126676119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).