4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol

C28H44N2O2 — CID 139990799

IUPAC4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol
SMILESCCCC(c1cc(CCN)cc(C(C)(C)C)c1O)c1cc(CCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H44N2O2/c1-8-9-20(21-14-18(10-12-29)16-23(25(21)31)27(2,3)4)22-15-19(11-13-30)17-24(26(22)32)28(5,6)7/h14-17,20,31-32H,8-13,29-30H2,1-7H3
InChIKeyRFUKOZHRQNIICO-UHFFFAOYSA-N
MW440.67 g/mol
LogP5.63
Rot. Bonds8

About 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol

4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol (PubChem CID 139990799) has the molecular formula C28H44N2O2 and a molecular weight of 440.67 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol
PubChem CID139990799
Molecular FormulaC28H44N2O2
Molecular Weight440.67 g/mol
Exact Mass440.34
IUPAC Name4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol
SMILESCCCC(c1cc(CCN)cc(C(C)(C)C)c1O)c1cc(CCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H44N2O2/c1-8-9-20(21-14-18(10-12-29)16-23(25(21)31)27(2,3)4)22-15-19(11-13-30)17-24(26(22)32)28(5,6)7/h14-17,20,31-32H,8-13,29-30H2,1-7H3
InChIKeyRFUKOZHRQNIICO-UHFFFAOYSA-N
XLogP5.63
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 55.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol with MolForge

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Related Compounds

2-tert-butyl-6-[1-[3-tert-butyl-2-hydroxy-5-(3-hydroxypropyl)phenyl]butyl]-4-(5-hydroxypentyl)phenol
CID 59837202
4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol
CID 71368019
2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
CID 89220492
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
4-butyl-2,6-ditert-butylphenol
CID 158079570
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
CID 21395972
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
CID 162123967
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol?
The IUPAC name of 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol (CID 139990799) is 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol?
The canonical SMILES for 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol is CCCC(c1cc(CCN)cc(C(C)(C)C)c1O)c1cc(CCN)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol?
The InChIKey is RFUKOZHRQNIICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O2/c1-8-9-20(21-14-18(10-12-29)16-23(25(21)31)27(2,3)4)22-15-19(11-13-30)17-24(26(22)32)28(5,6)7/h14-17,20,31-32H,8-13,29-30H2,1-7H3.
What are the key properties of 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol?
4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol has a molecular weight of 440.67 g/mol, XLogP of 5.63, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol is sourced from PubChem (CID 139990799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).