2-tert-butyl-5-(2,2-dimethylpropyl)aniline

C15H25N — CID 142239267

IUPAC2-tert-butyl-5-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)Cc1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C15H25N/c1-14(2,3)10-11-7-8-12(13(16)9-11)15(4,5)6/h7-9H,10,16H2,1-6H3
InChIKeyOJNSEVVBQXSXGL-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.15
Rot. Bonds1

About 2-tert-butyl-5-(2,2-dimethylpropyl)aniline

2-tert-butyl-5-(2,2-dimethylpropyl)aniline (PubChem CID 142239267) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylpropyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylpropyl)aniline
PubChem CID142239267
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-tert-butyl-5-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)Cc1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C15H25N/c1-14(2,3)10-11-7-8-12(13(16)9-11)15(4,5)6/h7-9H,10,16H2,1-6H3
InChIKeyOJNSEVVBQXSXGL-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.15
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-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
CID 59376441
(3-amino-4-tert-butylphenyl)methanesulfonamide
CID 139784455
2-amino-4-(2,2-dimethylpropyl)phenol;4-(2,2-dimethylpropyl)aniline
CID 159897001
1-(3-amino-4-tert-butylphenyl)-N-methylmethanesulfonamide
CID 139784459
2,7-bis(2,2-dimethylpropyl)naphthalene
CID 147176407
4-tert-butyl-1-N-methylbenzene-1,3-diamine
CID 130787957
2-(1-aminoethyl)-4-(2,2-dimethylpropyl)phenol
CID 117296793
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
3-amino-4-tert-butylbenzoic acid;hydrochloride
CID 119099217
2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
CID 117320726
4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
CID 59139797
2-tert-butylaniline
CID 159041627

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)aniline?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)aniline (CID 142239267) is 2-tert-butyl-5-(2,2-dimethylpropyl)aniline.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylpropyl)aniline?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylpropyl)aniline is CC(C)(C)Cc1ccc(C(C)(C)C)c(N)c1.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylpropyl)aniline?
The InChIKey is OJNSEVVBQXSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2,3)10-11-7-8-12(13(16)9-11)15(4,5)6/h7-9H,10,16H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylpropyl)aniline?
2-tert-butyl-5-(2,2-dimethylpropyl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2-dimethylpropyl)aniline is sourced from PubChem (CID 142239267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).