2-[2-(2-phenylpropan-2-yl)phenoxy]aniline

C21H21NO — CID 67055511

IUPAC2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
SMILESCC(C)(c1ccccc1)c1ccccc1Oc1ccccc1N
InChIInChI=1S/C21H21NO/c1-21(2,16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)22/h3-15H,22H2,1-2H3
InChIKeyQMDGGXFZYKISGQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.39
Rot. Bonds4

About 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline

2-[2-(2-phenylpropan-2-yl)phenoxy]aniline (PubChem CID 67055511) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline.

Molecular Properties

Compound Name2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
PubChem CID67055511
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
SMILESCC(C)(c1ccccc1)c1ccccc1Oc1ccccc1N
InChIInChI=1S/C21H21NO/c1-21(2,16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)22/h3-15H,22H2,1-2H3
InChIKeyQMDGGXFZYKISGQ-UHFFFAOYSA-N
XLogP5.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
CID 19890139
2-(4-tert-butylphenoxy)aniline
CID 26189124
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
CID 174757084
3-amino-4-(2-tert-butylphenoxy)benzoic acid
CID 63423267
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-phenylpropan-2-ylbenzene
CID 13065
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
3-[2-[2-[2-(3-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 22483776
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline?
The IUPAC name of 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline (CID 67055511) is 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline.
What is the SMILES notation for 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline?
The canonical SMILES for 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline is CC(C)(c1ccccc1)c1ccccc1Oc1ccccc1N.
What is the InChIKey of 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline?
The InChIKey is QMDGGXFZYKISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-21(2,16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)22/h3-15H,22H2,1-2H3.
What are the key properties of 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline?
2-[2-(2-phenylpropan-2-yl)phenoxy]aniline has a molecular weight of 303.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylpropan-2-yl)phenoxy]aniline is sourced from PubChem (CID 67055511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).