2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol

C22H31N3O — CID 162523909

IUPAC2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCc1cc(C(C)(C)CC(C)(C)C)cc(/N=N/c2ccccc2N)c1O
InChIInChI=1S/C22H31N3O/c1-7-15-12-16(22(5,6)14-21(2,3)4)13-19(20(15)26)25-24-18-11-9-8-10-17(18)23/h8-13,26H,7,14,23H2,1-6H3/b25-24+
InChIKeyPZWUHHQMILYZMZ-OCOZRVBESA-N
MW353.51 g/mol
LogP6.67
Rot. Bonds5

About 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 162523909) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID162523909
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCc1cc(C(C)(C)CC(C)(C)C)cc(/N=N/c2ccccc2N)c1O
InChIInChI=1S/C22H31N3O/c1-7-15-12-16(22(5,6)14-21(2,3)4)13-19(20(15)26)25-24-18-11-9-8-10-17(18)23/h8-13,26H,7,14,23H2,1-6H3/b25-24+
InChIKeyPZWUHHQMILYZMZ-OCOZRVBESA-N
XLogP6.67
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-[3-ethyl-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]iminoazanium
CID 162523908
2-[(2-nitrophenyl)diazenyl]-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 135508499
2-nitroaniline;2-[(2-nitrophenyl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 161461978
3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal
CID 145144376
6-amino-5-chloro-3H-1,3-benzoxazol-2-one;5-chloro-6-[[2-hydroxy-3-(2-phenylpropan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]diazenyl]-3H-1,3-benzoxazol-2-one
CID 158759758
2-[[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenyl]diazenyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 135980878
7-amino-1,3-dimethyl-6-nitroquinazoline-2,4-dione;7-[[2-hydroxy-3-(2-phenylpropan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]diazenyl]-1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 158851260
2-amino-6-bromo-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 51983771
2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol
CID 139924710
2-(2,4,4-trimethylpentan-2-yl)aniline
CID 67789986
2-[(2-nitrophenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 156700464
2-(aminodiazenyl)aniline
CID 18792571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 162523909) is 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol is CCc1cc(C(C)(C)CC(C)(C)C)cc(/N=N/c2ccccc2N)c1O.
What is the InChIKey of 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is PZWUHHQMILYZMZ-OCOZRVBESA-N. The full InChI is InChI=1S/C22H31N3O/c1-7-15-12-16(22(5,6)14-21(2,3)4)13-19(20(15)26)25-24-18-11-9-8-10-17(18)23/h8-13,26H,7,14,23H2,1-6H3/b25-24+.
What are the key properties of 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 353.51 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 162523909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).