2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol

C34H48N2O4 — CID 139938732

IUPAC2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(Oc2ccccc2Oc2cc(C(C)(C)C)c(N)c(O)c2C(C)(C)C)c(C(C)(C)C)c(O)c1N
InChIInChI=1S/C34H48N2O4/c1-31(2,3)19-17-23(25(33(7,8)9)29(37)27(19)35)39-21-15-13-14-16-22(21)40-24-18-20(32(4,5)6)28(36)30(38)26(24)34(10,11)12/h13-18,37-38H,35-36H2,1-12H3
InChIKeyDIYASZLKJJWSET-UHFFFAOYSA-N
MW548.77 g/mol
LogP9.04
Rot. Bonds4

About 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol

2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol (PubChem CID 139938732) has the molecular formula C34H48N2O4 and a molecular weight of 548.77 g/mol. Its IUPAC name is 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol.

Molecular Properties

Compound Name2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol
PubChem CID139938732
Molecular FormulaC34H48N2O4
Molecular Weight548.77 g/mol
Exact Mass548.36
IUPAC Name2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(Oc2ccccc2Oc2cc(C(C)(C)C)c(N)c(O)c2C(C)(C)C)c(C(C)(C)C)c(O)c1N
InChIInChI=1S/C34H48N2O4/c1-31(2,3)19-17-23(25(33(7,8)9)29(37)27(19)35)39-21-15-13-14-16-22(21)40-24-18-20(32(4,5)6)28(36)30(38)26(24)34(10,11)12/h13-18,37-38H,35-36H2,1-12H3
InChIKeyDIYASZLKJJWSET-UHFFFAOYSA-N
XLogP9.04
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 59.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol 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

2,6-ditert-butyl-4-(2-hydroxyphenoxy)-3-methylphenol
CID 57222947
3-amino-4-(2-tert-butylphenoxy)benzoic acid
CID 63423267
3-amino-2,5-ditert-butylbenzene-1,4-diol
CID 86244244
4-[2-(2-amino-3-methoxyphenyl)ethyl]-2,6-ditert-butylphenol
CID 19960491
3-(2-tert-butylphenoxy)-4-methylbenzoic acid
CID 105405734
2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2,3,4-tritert-butyl-6-phenylaniline
CID 175575681
5-amino-2-(2-tert-butylphenoxy)benzonitrile
CID 61295995
2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline
CID 60789578
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
3-(2-tert-butylphenoxy)-5-fluoroaniline
CID 80753317
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol?
The IUPAC name of 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol (CID 139938732) is 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol.
What is the SMILES notation for 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol?
The canonical SMILES for 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol is CC(C)(C)c1cc(Oc2ccccc2Oc2cc(C(C)(C)C)c(N)c(O)c2C(C)(C)C)c(C(C)(C)C)c(O)c1N.
What is the InChIKey of 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol?
The InChIKey is DIYASZLKJJWSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O4/c1-31(2,3)19-17-23(25(33(7,8)9)29(37)27(19)35)39-21-15-13-14-16-22(21)40-24-18-20(32(4,5)6)28(36)30(38)26(24)34(10,11)12/h13-18,37-38H,35-36H2,1-12H3.
What are the key properties of 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol?
2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol has a molecular weight of 548.77 g/mol, XLogP of 9.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol is sourced from PubChem (CID 139938732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).