2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol

C30H48N2O2 — CID 70700395

IUPAC2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(N(CCN)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H48N2O2/c1-27(2,3)19-15-21(29(7,8)9)25(33)23(17-19)32(14-13-31)24-18-20(28(4,5)6)16-22(26(24)34)30(10,11)12/h15-18,33-34H,13-14,31H2,1-12H3
InChIKeyCUXUAAZRJVGOMY-UHFFFAOYSA-N
MW468.73 g/mol
LogP7.38
Rot. Bonds4

About 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol

2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol (PubChem CID 70700395) has the molecular formula C30H48N2O2 and a molecular weight of 468.73 g/mol. Its IUPAC name is 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
PubChem CID70700395
Molecular FormulaC30H48N2O2
Molecular Weight468.73 g/mol
Exact Mass468.37
IUPAC Name2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(N(CCN)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H48N2O2/c1-27(2,3)19-15-21(29(7,8)9)25(33)23(17-19)32(14-13-31)24-18-20(28(4,5)6)16-22(26(24)34)30(10,11)12/h15-18,33-34H,13-14,31H2,1-12H3
InChIKeyCUXUAAZRJVGOMY-UHFFFAOYSA-N
XLogP7.38
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 57.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
CID 102041593
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-hydroxy-N-(2-methoxyethyl)anilino]phenol
CID 102041591
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
2,4-ditert-butyl-6-(diethylamino)phenol
CID 90717515
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
CID 135046337
CID 135046337
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol
CID 141133723
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2-[(1S)-1-amino-2-fluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201880

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol?
The IUPAC name of 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol (CID 70700395) is 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol is CC(C)(C)c1cc(N(CCN)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol?
The InChIKey is CUXUAAZRJVGOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O2/c1-27(2,3)19-15-21(29(7,8)9)25(33)23(17-19)32(14-13-31)24-18-20(28(4,5)6)16-22(26(24)34)30(10,11)12/h15-18,33-34H,13-14,31H2,1-12H3.
What are the key properties of 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol?
2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol has a molecular weight of 468.73 g/mol, XLogP of 7.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol is sourced from PubChem (CID 70700395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).