2-tert-butyl-N-(3-methylbutan-2-yl)aniline

C15H25N — CID 43682932

IUPAC2-tert-butyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-11(2)12(3)16-14-10-8-7-9-13(14)15(4,5)6/h7-12,16H,1-6H3
InChIKeyFOOSSUGACXPPFO-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.44
Rot. Bonds3

About 2-tert-butyl-N-(3-methylbutan-2-yl)aniline

2-tert-butyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43682932) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43682932
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-tert-butyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-11(2)12(3)16-14-10-8-7-9-13(14)15(4,5)6/h7-12,16H,1-6H3
InChIKeyFOOSSUGACXPPFO-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Desipramine
CID 2995
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Indoline
CID 10328
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
4,4'-Methylenebis(N-methylaniline)
CID 15735
1,2,3,4-Tetrahydroquinoline
CID 69460
2-Methylindoline
CID 23305
2,N-Dimethylaniline
CID 69137

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-tert-butyl-N-(3-methylbutan-2-yl)aniline (CID 43682932) is 2-tert-butyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-tert-butyl-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is FOOSSUGACXPPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)12(3)16-14-10-8-7-9-13(14)15(4,5)6/h7-12,16H,1-6H3.
What are the key properties of 2-tert-butyl-N-(3-methylbutan-2-yl)aniline?
2-tert-butyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43682932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).