3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline

C20H20N2O2 — CID 19762800

IUPAC3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
SMILESCc1cc(N)cc(Oc2cccc(Oc3cc(C)cc(N)c3)c2)c1
InChIInChI=1S/C20H20N2O2/c1-13-6-15(21)10-19(8-13)23-17-4-3-5-18(12-17)24-20-9-14(2)7-16(22)11-20/h3-12H,21-22H2,1-2H3
InChIKeyPCQKMIHCJRROTG-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.05
Rot. Bonds4

About 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline

3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline (PubChem CID 19762800) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline.

Molecular Properties

Compound Name3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
PubChem CID19762800
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
SMILESCc1cc(N)cc(Oc2cccc(Oc3cc(C)cc(N)c3)c2)c1
InChIInChI=1S/C20H20N2O2/c1-13-6-15(21)10-19(8-13)23-17-4-3-5-18(12-17)24-20-9-14(2)7-16(22)11-20/h3-12H,21-22H2,1-2H3
InChIKeyPCQKMIHCJRROTG-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
CID 115980929
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
CID 112648458
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline?
The IUPAC name of 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline (CID 19762800) is 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline.
What is the SMILES notation for 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline?
The canonical SMILES for 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline is Cc1cc(N)cc(Oc2cccc(Oc3cc(C)cc(N)c3)c2)c1.
What is the InChIKey of 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline?
The InChIKey is PCQKMIHCJRROTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-6-15(21)10-19(8-13)23-17-4-3-5-18(12-17)24-20-9-14(2)7-16(22)11-20/h3-12H,21-22H2,1-2H3.
What are the key properties of 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline?
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline 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 3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline is sourced from PubChem (CID 19762800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).