4-(methoxymethoxy)-2-methylaniline

C9H13NO2 — CID 14883323

IUPAC4-(methoxymethoxy)-2-methylaniline
SMILESCOCOc1ccc(N)c(C)c1
InChIInChI=1S/C9H13NO2/c1-7-5-8(12-6-11-2)3-4-9(7)10/h3-5H,6,10H2,1-2H3
InChIKeyBCCFCHNIUSRQOQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.56
Rot. Bonds3

About 4-(methoxymethoxy)-2-methylaniline

4-(methoxymethoxy)-2-methylaniline (PubChem CID 14883323) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-methylaniline
PubChem CID14883323
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(methoxymethoxy)-2-methylaniline
SMILESCOCOc1ccc(N)c(C)c1
InChIInChI=1S/C9H13NO2/c1-7-5-8(12-6-11-2)3-4-9(7)10/h3-5H,6,10H2,1-2H3
InChIKeyBCCFCHNIUSRQOQ-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
ethane;4-[6-(methoxymethoxy)-1,3-benzothiazol-2-yl]-2-methylaniline
CID 142942990
1,4-bis(methoxymethoxy)benzene
CID 542643
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 143210311
2-methyl-4-nonoxyaniline
CID 43128997
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
CID 155822229
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-methylaniline?
The IUPAC name of 4-(methoxymethoxy)-2-methylaniline (CID 14883323) is 4-(methoxymethoxy)-2-methylaniline.
What is the SMILES notation for 4-(methoxymethoxy)-2-methylaniline?
The canonical SMILES for 4-(methoxymethoxy)-2-methylaniline is COCOc1ccc(N)c(C)c1.
What is the InChIKey of 4-(methoxymethoxy)-2-methylaniline?
The InChIKey is BCCFCHNIUSRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-5-8(12-6-11-2)3-4-9(7)10/h3-5H,6,10H2,1-2H3.
What are the key properties of 4-(methoxymethoxy)-2-methylaniline?
4-(methoxymethoxy)-2-methylaniline has a molecular weight of 167.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-methylaniline is sourced from PubChem (CID 14883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).