4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline

C20H20N2O2 — CID 139877807

IUPAC4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2)c(C)c(Oc2ccc(N)cc2)c1
InChIInChI=1S/C20H20N2O2/c1-13-11-19(23-17-7-3-15(21)4-8-17)14(2)20(12-13)24-18-9-5-16(22)6-10-18/h3-12H,21-22H2,1-2H3
InChIKeyPKLYTSZYAMELII-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.05
Rot. Bonds4

About 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline

4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline (PubChem CID 139877807) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
PubChem CID139877807
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2)c(C)c(Oc2ccc(N)cc2)c1
InChIInChI=1S/C20H20N2O2/c1-13-11-19(23-17-7-3-15(21)4-8-17)14(2)20(12-13)24-18-9-5-16(22)6-10-18/h3-12H,21-22H2,1-2H3
InChIKeyPKLYTSZYAMELII-UHFFFAOYSA-N
XLogP5.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
CID 15937172
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910
4-(4-aminophenoxy)aniline
CID 161415647
4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
CID 22237122
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
CID 175044798
CID 175044798
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline (CID 139877807) is 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline is Cc1cc(Oc2ccc(N)cc2)c(C)c(Oc2ccc(N)cc2)c1.
What is the InChIKey of 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline?
The InChIKey is PKLYTSZYAMELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-11-19(23-17-7-3-15(21)4-8-17)14(2)20(12-13)24-18-9-5-16(22)6-10-18/h3-12H,21-22H2,1-2H3.
What are the key properties of 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline?
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline has a molecular weight of 320.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline is sourced from PubChem (CID 139877807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).