4-(6-tert-butyl-2-pyridinyl)aniline

C15H18N2 — CID 10105113

IUPAC4-(6-tert-butyl-2-pyridinyl)aniline
SMILESCC(C)(C)c1cccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H18N2/c1-15(2,3)14-6-4-5-13(17-14)11-7-9-12(16)10-8-11/h4-10H,16H2,1-3H3
InChIKeyLMJPNOCXNPAYJV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.63
Rot. Bonds1

About 4-(6-tert-butyl-2-pyridinyl)aniline

4-(6-tert-butyl-2-pyridinyl)aniline (PubChem CID 10105113) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(6-tert-butyl-2-pyridinyl)aniline.

Molecular Properties

Compound Name4-(6-tert-butyl-2-pyridinyl)aniline
PubChem CID10105113
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(6-tert-butyl-2-pyridinyl)aniline
SMILESCC(C)(C)c1cccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H18N2/c1-15(2,3)14-6-4-5-13(17-14)11-7-9-12(16)10-8-11/h4-10H,16H2,1-3H3
InChIKeyLMJPNOCXNPAYJV-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6-tert-butyl-2-pyridinyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 70990077
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine
CID 154872410
2-tert-butyl-6-[4-[2-(6-chloro-2-pyridinyl)-2-(disulfanyl)propyl]phenyl]pyridine
CID 166704208
2-tert-butyl-6-thiophen-2-ylpyridine
CID 15128602
4-(5-tert-butylthiophen-2-yl)aniline
CID 10399021
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
CID 137391001
39,40,45,46-tetrazanonacyclo[32.2.2.22,5.216,19.220,23.16,10.111,15.124,28.129,33]octatetraconta-1(36),2(48),3,5(47),6(46),7,9,11,13,15(45),16(44),17,19(43),20,22,24(40),25,27,29,31,33(39),34,37,41-tetracosaene
CID 153310633
6-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 22557494
2-butyl-6-(6-tert-butyl-2-pyridinyl)pyridine
CID 145133431
4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62721082

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-2-pyridinyl)aniline?
The IUPAC name of 4-(6-tert-butyl-2-pyridinyl)aniline (CID 10105113) is 4-(6-tert-butyl-2-pyridinyl)aniline.
What is the SMILES notation for 4-(6-tert-butyl-2-pyridinyl)aniline?
The canonical SMILES for 4-(6-tert-butyl-2-pyridinyl)aniline is CC(C)(C)c1cccc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-(6-tert-butyl-2-pyridinyl)aniline?
The InChIKey is LMJPNOCXNPAYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-15(2,3)14-6-4-5-13(17-14)11-7-9-12(16)10-8-11/h4-10H,16H2,1-3H3.
What are the key properties of 4-(6-tert-butyl-2-pyridinyl)aniline?
4-(6-tert-butyl-2-pyridinyl)aniline has a molecular weight of 226.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-2-pyridinyl)aniline is sourced from PubChem (CID 10105113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).