4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline

C16H20N2O — CID 15937172

IUPAC4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
SMILESCc1c(C)c(Oc2ccc(N)cc2)c(C)c(C)c1N
InChIInChI=1S/C16H20N2O/c1-9-11(3)16(12(4)10(2)15(9)18)19-14-7-5-13(17)6-8-14/h5-8H,17-18H2,1-4H3
InChIKeyVGQUYGKAFGKINO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.88
Rot. Bonds2

About 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline

4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline (PubChem CID 15937172) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline.

Molecular Properties

Compound Name4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
PubChem CID15937172
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
SMILESCc1c(C)c(Oc2ccc(N)cc2)c(C)c(C)c1N
InChIInChI=1S/C16H20N2O/c1-9-11(3)16(12(4)10(2)15(9)18)19-14-7-5-13(17)6-8-14/h5-8H,17-18H2,1-4H3
InChIKeyVGQUYGKAFGKINO-UHFFFAOYSA-N
XLogP3.88
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-aminophenoxy)aniline
CID 161415647
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline
CID 22141605
CID 175044798
CID 175044798
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline
CID 139669163
4-phenoxyaniline
CID 158390066
4-(2,3,5,6-tetrafluorophenoxy)aniline
CID 102133014
4-[4-[2-[4-[2-[4-(4-aminophenoxy)-2,3-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,3-dimethylphenoxy]aniline
CID 19020891

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline?
The IUPAC name of 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline (CID 15937172) is 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline.
What is the SMILES notation for 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline?
The canonical SMILES for 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline is Cc1c(C)c(Oc2ccc(N)cc2)c(C)c(C)c1N.
What is the InChIKey of 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline?
The InChIKey is VGQUYGKAFGKINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-9-11(3)16(12(4)10(2)15(9)18)19-14-7-5-13(17)6-8-14/h5-8H,17-18H2,1-4H3.
What are the key properties of 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline?
4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline is sourced from PubChem (CID 15937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).