2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline

C16H20N2O3 — CID 174463827

IUPAC2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
SMILESCOCc1ccc(Oc2ccc(COC)cc2N)c(N)c1
InChIInChI=1S/C16H20N2O3/c1-19-9-11-3-5-15(13(17)7-11)21-16-6-4-12(10-20-2)8-14(16)18/h3-8H,9-10,17-18H2,1-2H3
InChIKeyVJBLCHMGYWKLMZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.94
Rot. Bonds6

About 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline

2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline (PubChem CID 174463827) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline.

Molecular Properties

Compound Name2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
PubChem CID174463827
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
SMILESCOCc1ccc(Oc2ccc(COC)cc2N)c(N)c1
InChIInChI=1S/C16H20N2O3/c1-19-9-11-3-5-15(13(17)7-11)21-16-6-4-12(10-20-2)8-14(16)18/h3-8H,9-10,17-18H2,1-2H3
InChIKeyVJBLCHMGYWKLMZ-UHFFFAOYSA-N
XLogP2.94
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(methoxymethyl)aniline
CID 43349916
4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
5-ethyl-2-(2-methoxyethoxy)aniline
CID 54853265
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene
CID 174451307
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-amine
CID 117299291
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine
CID 142329776
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline?
The IUPAC name of 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline (CID 174463827) is 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline.
What is the SMILES notation for 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline?
The canonical SMILES for 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline is COCc1ccc(Oc2ccc(COC)cc2N)c(N)c1.
What is the InChIKey of 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline?
The InChIKey is VJBLCHMGYWKLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-9-11-3-5-15(13(17)7-11)21-16-6-4-12(10-20-2)8-14(16)18/h3-8H,9-10,17-18H2,1-2H3.
What are the key properties of 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline?
2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline has a molecular weight of 288.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline is sourced from PubChem (CID 174463827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).