3-(methoxymethyl)-N-methylaniline

C9H13NO — CID 23080905

IUPAC3-(methoxymethyl)-N-methylaniline
SMILESCNc1cccc(COC)c1
InChIInChI=1S/C9H13NO/c1-10-9-5-3-4-8(6-9)7-11-2/h3-6,10H,7H2,1-2H3
InChIKeyRVZIRNWJPQXUDG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.87
Rot. Bonds3

About 3-(methoxymethyl)-N-methylaniline

3-(methoxymethyl)-N-methylaniline (PubChem CID 23080905) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methylaniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methylaniline
PubChem CID23080905
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(methoxymethyl)-N-methylaniline
SMILESCNc1cccc(COC)c1
InChIInChI=1S/C9H13NO/c1-10-9-5-3-4-8(6-9)7-11-2/h3-6,10H,7H2,1-2H3
InChIKeyRVZIRNWJPQXUDG-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(methylperoxymethyl)aniline
CID 20699956
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-N-[3-(methoxymethyl)phenyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80783644
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
3-(bromomethyl)-N-methylaniline
CID 147410245
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
2-[3-(methoxymethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608318
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methylaniline?
The IUPAC name of 3-(methoxymethyl)-N-methylaniline (CID 23080905) is 3-(methoxymethyl)-N-methylaniline.
What is the SMILES notation for 3-(methoxymethyl)-N-methylaniline?
The canonical SMILES for 3-(methoxymethyl)-N-methylaniline is CNc1cccc(COC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-methylaniline?
The InChIKey is RVZIRNWJPQXUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-9-5-3-4-8(6-9)7-11-2/h3-6,10H,7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-methylaniline?
3-(methoxymethyl)-N-methylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methylaniline is sourced from PubChem (CID 23080905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).