2-(2-aminopropyl)-6-tert-butyl-4-methylphenol

C14H23NO — CID 117317029

IUPAC2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(CC(C)N)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-9-6-11(8-10(2)15)13(16)12(7-9)14(3,4)5/h6-7,10,16H,8,15H2,1-5H3
InChIKeyLGRBKEWUTQFUHZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds2

About 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol

2-(2-aminopropyl)-6-tert-butyl-4-methylphenol (PubChem CID 117317029) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
PubChem CID117317029
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(CC(C)N)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-9-6-11(8-10(2)15)13(16)12(7-9)14(3,4)5/h6-7,10,16H,8,15H2,1-5H3
InChIKeyLGRBKEWUTQFUHZ-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol 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

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
CID 163490839
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol (CID 117317029) is 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol is Cc1cc(CC(C)N)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol?
The InChIKey is LGRBKEWUTQFUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-6-11(8-10(2)15)13(16)12(7-9)14(3,4)5/h6-7,10,16H,8,15H2,1-5H3.
What are the key properties of 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol?
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol has a molecular weight of 221.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 117317029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).