3,5-ditert-butyl-2-methylaniline

C15H25N — CID 143364631

IUPAC3,5-ditert-butyl-2-methylaniline
SMILESCc1c(N)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-10-12(15(5,6)7)8-11(9-13(10)16)14(2,3)4/h8-9H,16H2,1-7H3
InChIKeyHMMDYXWEKHGJHW-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.17
Rot. Bonds

About 3,5-ditert-butyl-2-methylaniline

3,5-ditert-butyl-2-methylaniline (PubChem CID 143364631) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-methylaniline.

Molecular Properties

Compound Name3,5-ditert-butyl-2-methylaniline
PubChem CID143364631
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3,5-ditert-butyl-2-methylaniline
SMILESCc1c(N)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-10-12(15(5,6)7)8-11(9-13(10)16)14(2,3)4/h8-9H,16H2,1-7H3
InChIKeyHMMDYXWEKHGJHW-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.17
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

bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
CID 24809192
5-(1,1-difluoroethyl)-2-methylbenzene-1,3-diamine
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2-(2-amino-4,6-ditert-butylphenyl)ethanol
CID 146198086
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
1,2,3,5-tetratert-butylbenzene
CID 18679123
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
5-tert-butyl-2-methylpyridin-4-amine
CID 155095882
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
5-tert-butyl-2-methylaniline
CID 13089979
CID 15962849
CID 15962849
1,1-bis(3,5-ditert-butyl-2-methylphenyl)-2,2-bis(hydroxymethyl)propane-1,3-diol
CID 175796079

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-methylaniline?
The IUPAC name of 3,5-ditert-butyl-2-methylaniline (CID 143364631) is 3,5-ditert-butyl-2-methylaniline.
What is the SMILES notation for 3,5-ditert-butyl-2-methylaniline?
The canonical SMILES for 3,5-ditert-butyl-2-methylaniline is Cc1c(N)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-2-methylaniline?
The InChIKey is HMMDYXWEKHGJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10-12(15(5,6)7)8-11(9-13(10)16)14(2,3)4/h8-9H,16H2,1-7H3.
What are the key properties of 3,5-ditert-butyl-2-methylaniline?
3,5-ditert-butyl-2-methylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-methylaniline is sourced from PubChem (CID 143364631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).