2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline

C20H19NO2 — CID 89036380

IUPAC2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
SMILESCc1ccc(Oc2cccc(OCc3ccccc3N)c2)cc1
InChIInChI=1S/C20H19NO2/c1-15-9-11-17(12-10-15)23-19-7-4-6-18(13-19)22-14-16-5-2-3-8-20(16)21/h2-13H,14,21H2,1H3
InChIKeyOPCPQEGBBCOMQL-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.95
Rot. Bonds5

About 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline

2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline (PubChem CID 89036380) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline.

Molecular Properties

Compound Name2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
PubChem CID89036380
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
SMILESCc1ccc(Oc2cccc(OCc3ccccc3N)c2)cc1
InChIInChI=1S/C20H19NO2/c1-15-9-11-17(12-10-15)23-19-7-4-6-18(13-19)22-14-16-5-2-3-8-20(16)21/h2-13H,14,21H2,1H3
InChIKeyOPCPQEGBBCOMQL-UHFFFAOYSA-N
XLogP4.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole
CID 70855080
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
CID 107347960
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
2-[(4-methylsulfonylphenoxy)methyl]aniline
CID 43806870
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline?
The IUPAC name of 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline (CID 89036380) is 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline.
What is the SMILES notation for 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline?
The canonical SMILES for 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline is Cc1ccc(Oc2cccc(OCc3ccccc3N)c2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline?
The InChIKey is OPCPQEGBBCOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15-9-11-17(12-10-15)23-19-7-4-6-18(13-19)22-14-16-5-2-3-8-20(16)21/h2-13H,14,21H2,1H3.
What are the key properties of 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline?
2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline has a molecular weight of 305.38 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline is sourced from PubChem (CID 89036380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).