3,5-bis(2-phenylpropan-2-yl)aniline

C24H27N — CID 142144538

IUPAC3,5-bis(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1cc(N)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H27N/c1-23(2,18-11-7-5-8-12-18)20-15-21(17-22(25)16-20)24(3,4)19-13-9-6-10-14-19/h5-17H,25H2,1-4H3
InChIKeyWTKRGQXEKCFZCO-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.92
Rot. Bonds4

About 3,5-bis(2-phenylpropan-2-yl)aniline

3,5-bis(2-phenylpropan-2-yl)aniline (PubChem CID 142144538) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 3,5-bis(2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound Name3,5-bis(2-phenylpropan-2-yl)aniline
PubChem CID142144538
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name3,5-bis(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1cc(N)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H27N/c1-23(2,18-11-7-5-8-12-18)20-15-21(17-22(25)16-20)24(3,4)19-13-9-6-10-14-19/h5-17H,25H2,1-4H3
InChIKeyWTKRGQXEKCFZCO-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
3-tert-butylaniline;tert-butylbenzene
CID 158494400
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine
CID 19849945
CID 171375456
CID 171375456
3-tert-butylaniline;hydrobromide
CID 155928054
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine
CID 171500783
2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
CID 2757944
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-phenylpropan-2-yl)aniline?
The IUPAC name of 3,5-bis(2-phenylpropan-2-yl)aniline (CID 142144538) is 3,5-bis(2-phenylpropan-2-yl)aniline.
What is the SMILES notation for 3,5-bis(2-phenylpropan-2-yl)aniline?
The canonical SMILES for 3,5-bis(2-phenylpropan-2-yl)aniline is CC(C)(c1ccccc1)c1cc(N)cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 3,5-bis(2-phenylpropan-2-yl)aniline?
The InChIKey is WTKRGQXEKCFZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-23(2,18-11-7-5-8-12-18)20-15-21(17-22(25)16-20)24(3,4)19-13-9-6-10-14-19/h5-17H,25H2,1-4H3.
What are the key properties of 3,5-bis(2-phenylpropan-2-yl)aniline?
3,5-bis(2-phenylpropan-2-yl)aniline has a molecular weight of 329.49 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 142144538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).