2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline

C20H27N — CID 175179902

IUPAC2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline
SMILESCC(C)c1cccc(CC(C)(C)C)c1Nc1ccccc1
InChIInChI=1S/C20H27N/c1-15(2)18-13-9-10-16(14-20(3,4)5)19(18)21-17-11-7-6-8-12-17/h6-13,15,21H,14H2,1-5H3
InChIKeyBMBCGPJJQRIFAT-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.14
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline

2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline (PubChem CID 175179902) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline
PubChem CID175179902
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline
SMILESCC(C)c1cccc(CC(C)(C)C)c1Nc1ccccc1
InChIInChI=1S/C20H27N/c1-15(2)18-13-9-10-16(14-20(3,4)5)19(18)21-17-11-7-6-8-12-17/h6-13,15,21H,14H2,1-5H3
InChIKeyBMBCGPJJQRIFAT-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
2,6-diethyl-N-phenylaniline
CID 45095580
N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide
CID 175027495
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine
CID 82292814
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
N-ethyl-2,6-di(propan-2-yl)aniline;trichlorocobalt
CID 175492359
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
N-(4-tert-butylphenyl)-2,6-diethylaniline
CID 176876729
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
CID 174772917

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline (CID 175179902) is 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline is CC(C)c1cccc(CC(C)(C)C)c1Nc1ccccc1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline?
The InChIKey is BMBCGPJJQRIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)18-13-9-10-16(14-20(3,4)5)19(18)21-17-11-7-6-8-12-17/h6-13,15,21H,14H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline?
2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline has a molecular weight of 281.44 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline is sourced from PubChem (CID 175179902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).