2,4-bis(3-methylphenoxy)aniline

C20H19NO2 — CID 34173748

IUPAC2,4-bis(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2ccc(N)c(Oc3cccc(C)c3)c2)c1
InChIInChI=1S/C20H19NO2/c1-14-5-3-7-16(11-14)22-18-9-10-19(21)20(13-18)23-17-8-4-6-15(2)12-17/h3-13H,21H2,1-2H3
InChIKeyRMUHXZZVCRVOKY-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.47
Rot. Bonds4

About 2,4-bis(3-methylphenoxy)aniline

2,4-bis(3-methylphenoxy)aniline (PubChem CID 34173748) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,4-bis(3-methylphenoxy)aniline.

Molecular Properties

Compound Name2,4-bis(3-methylphenoxy)aniline
PubChem CID34173748
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2,4-bis(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2ccc(N)c(Oc3cccc(C)c3)c2)c1
InChIInChI=1S/C20H19NO2/c1-14-5-3-7-16(11-14)22-18-9-10-19(21)20(13-18)23-17-8-4-6-15(2)12-17/h3-13H,21H2,1-2H3
InChIKeyRMUHXZZVCRVOKY-UHFFFAOYSA-N
XLogP5.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.47
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

4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
2,4-bis(3-methylphenoxy)phenol
CID 139941781
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methylphenoxy)aniline?
The IUPAC name of 2,4-bis(3-methylphenoxy)aniline (CID 34173748) is 2,4-bis(3-methylphenoxy)aniline.
What is the SMILES notation for 2,4-bis(3-methylphenoxy)aniline?
The canonical SMILES for 2,4-bis(3-methylphenoxy)aniline is Cc1cccc(Oc2ccc(N)c(Oc3cccc(C)c3)c2)c1.
What is the InChIKey of 2,4-bis(3-methylphenoxy)aniline?
The InChIKey is RMUHXZZVCRVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-5-3-7-16(11-14)22-18-9-10-19(21)20(13-18)23-17-8-4-6-15(2)12-17/h3-13H,21H2,1-2H3.
What are the key properties of 2,4-bis(3-methylphenoxy)aniline?
2,4-bis(3-methylphenoxy)aniline has a molecular weight of 305.38 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methylphenoxy)aniline is sourced from PubChem (CID 34173748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).