N-(methoxymethyl)-2-methylaniline

C9H13NO — CID 10953701

IUPACN-(methoxymethyl)-2-methylaniline
SMILESCOCNc1ccccc1C
InChIInChI=1S/C9H13NO/c1-8-5-3-4-6-9(8)10-7-11-2/h3-6,10H,7H2,1-2H3
InChIKeyIQYNGPCFQAUGBS-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.01
Rot. Bonds3

About N-(methoxymethyl)-2-methylaniline

N-(methoxymethyl)-2-methylaniline (PubChem CID 10953701) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methylaniline.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methylaniline
PubChem CID10953701
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(methoxymethyl)-2-methylaniline
SMILESCOCNc1ccccc1C
InChIInChI=1S/C9H13NO/c1-8-5-3-4-6-9(8)10-7-11-2/h3-6,10H,7H2,1-2H3
InChIKeyIQYNGPCFQAUGBS-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methylaniline?
The IUPAC name of N-(methoxymethyl)-2-methylaniline (CID 10953701) is N-(methoxymethyl)-2-methylaniline.
What is the SMILES notation for N-(methoxymethyl)-2-methylaniline?
The canonical SMILES for N-(methoxymethyl)-2-methylaniline is COCNc1ccccc1C.
What is the InChIKey of N-(methoxymethyl)-2-methylaniline?
The InChIKey is IQYNGPCFQAUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8-5-3-4-6-9(8)10-7-11-2/h3-6,10H,7H2,1-2H3.
What are the key properties of N-(methoxymethyl)-2-methylaniline?
N-(methoxymethyl)-2-methylaniline has a molecular weight of 151.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methylaniline is sourced from PubChem (CID 10953701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).