3-(methoxymethyl)-2-methylaniline

C9H13NO — CID 14801184

IUPAC3-(methoxymethyl)-2-methylaniline
SMILESCOCc1cccc(N)c1C
InChIInChI=1S/C9H13NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6,10H2,1-2H3
InChIKeyUBPOEWHLSICXAF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds2

About 3-(methoxymethyl)-2-methylaniline

3-(methoxymethyl)-2-methylaniline (PubChem CID 14801184) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methylaniline.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methylaniline
PubChem CID14801184
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(methoxymethyl)-2-methylaniline
SMILESCOCc1cccc(N)c1C
InChIInChI=1S/C9H13NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6,10H2,1-2H3
InChIKeyUBPOEWHLSICXAF-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)benzene-1,2-diamine
CID 45116640
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
3-ethyl-2-methylaniline
CID 19879636
2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline
CID 43509385
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271
3-[(4-ethylphenoxy)methyl]-2-methylaniline
CID 43509295
3-(methoxymethyl)-2,6-dimethylaniline
CID 13265347
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
2-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43509396

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methylaniline?
The IUPAC name of 3-(methoxymethyl)-2-methylaniline (CID 14801184) is 3-(methoxymethyl)-2-methylaniline.
What is the SMILES notation for 3-(methoxymethyl)-2-methylaniline?
The canonical SMILES for 3-(methoxymethyl)-2-methylaniline is COCc1cccc(N)c1C.
What is the InChIKey of 3-(methoxymethyl)-2-methylaniline?
The InChIKey is UBPOEWHLSICXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-2-methylaniline?
3-(methoxymethyl)-2-methylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methylaniline is sourced from PubChem (CID 14801184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).