2-tert-butyl-N-(2,2-dimethylpropyl)aniline

C15H25N — CID 63426950

IUPAC2-tert-butyl-N-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-14(2,3)11-16-13-10-8-7-9-12(13)15(4,5)6/h7-10,16H,11H2,1-6H3
InChIKeyOMFRLOCIWXUPKW-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.44
Rot. Bonds2

About 2-tert-butyl-N-(2,2-dimethylpropyl)aniline

2-tert-butyl-N-(2,2-dimethylpropyl)aniline (PubChem CID 63426950) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-dimethylpropyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-dimethylpropyl)aniline
PubChem CID63426950
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-tert-butyl-N-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-14(2,3)11-16-13-10-8-7-9-12(13)15(4,5)6/h7-10,16H,11H2,1-6H3
InChIKeyOMFRLOCIWXUPKW-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-tert-butyl-N-propylaniline
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N-(2-tert-butylphenyl)hydroxylamine;hydrochloride
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(2-tert-butylphenyl)hydrazine;hydrazine
CID 158362001
2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
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2-tert-butyl-N-pentan-3-ylaniline
CID 43682945
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
3-(2-tert-butylanilino)-2-methylpropan-1-ol
CID 115871945
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741
2-tert-butyl-N-(2-propoxyethyl)aniline
CID 106452063
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-dimethylpropyl)aniline?
The IUPAC name of 2-tert-butyl-N-(2,2-dimethylpropyl)aniline (CID 63426950) is 2-tert-butyl-N-(2,2-dimethylpropyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(2,2-dimethylpropyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(2,2-dimethylpropyl)aniline is CC(C)(C)CNc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2,2-dimethylpropyl)aniline?
The InChIKey is OMFRLOCIWXUPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2,3)11-16-13-10-8-7-9-12(13)15(4,5)6/h7-10,16H,11H2,1-6H3.
What are the key properties of 2-tert-butyl-N-(2,2-dimethylpropyl)aniline?
2-tert-butyl-N-(2,2-dimethylpropyl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-dimethylpropyl)aniline is sourced from PubChem (CID 63426950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).