2-(3,4,5-trimethoxyphenoxy)aniline

C15H17NO4 — CID 11173411

IUPAC2-(3,4,5-trimethoxyphenoxy)aniline
SMILESCOc1cc(Oc2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C15H17NO4/c1-17-13-8-10(9-14(18-2)15(13)19-3)20-12-7-5-4-6-11(12)16/h4-9H,16H2,1-3H3
InChIKeyYLGUTHXASCCCKK-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.09
Rot. Bonds5

About 2-(3,4,5-trimethoxyphenoxy)aniline

2-(3,4,5-trimethoxyphenoxy)aniline (PubChem CID 11173411) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenoxy)aniline.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenoxy)aniline
PubChem CID11173411
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(3,4,5-trimethoxyphenoxy)aniline
SMILESCOc1cc(Oc2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C15H17NO4/c1-17-13-8-10(9-14(18-2)15(13)19-3)20-12-7-5-4-6-11(12)16/h4-9H,16H2,1-3H3
InChIKeyYLGUTHXASCCCKK-UHFFFAOYSA-N
XLogP3.09
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine
CID 106748558
2-methoxyaniline;dihydrochloride
CID 69020746
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-(6,7-dimethoxyquinolin-3-yl)oxyaniline
CID 141479585
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline
CID 63675956

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenoxy)aniline?
The IUPAC name of 2-(3,4,5-trimethoxyphenoxy)aniline (CID 11173411) is 2-(3,4,5-trimethoxyphenoxy)aniline.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenoxy)aniline?
The canonical SMILES for 2-(3,4,5-trimethoxyphenoxy)aniline is COc1cc(Oc2ccccc2N)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenoxy)aniline?
The InChIKey is YLGUTHXASCCCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-17-13-8-10(9-14(18-2)15(13)19-3)20-12-7-5-4-6-11(12)16/h4-9H,16H2,1-3H3.
What are the key properties of 2-(3,4,5-trimethoxyphenoxy)aniline?
2-(3,4,5-trimethoxyphenoxy)aniline has a molecular weight of 275.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenoxy)aniline is sourced from PubChem (CID 11173411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).