4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol

C22H31NO2 — CID 87840436

IUPAC4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol
SMILESCC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C22H31NO2/c1-16(2)21(19-10-8-7-9-11-19)23(22(4,5)6)25-17(3)18-12-14-20(24)15-13-18/h7-17,21,24H,1-6H3
InChIKeyBAWOUHMTQYMZBT-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.88
Rot. Bonds6

About 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol

4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol (PubChem CID 87840436) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol.

Molecular Properties

Compound Name4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol
PubChem CID87840436
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol
SMILESCC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C22H31NO2/c1-16(2)21(19-10-8-7-9-11-19)23(22(4,5)6)25-17(3)18-12-14-20(24)15-13-18/h7-17,21,24H,1-6H3
InChIKeyBAWOUHMTQYMZBT-UHFFFAOYSA-N
XLogP5.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-tert-butyl-N-[(1R)-1-[4-(chloromethyl)phenyl]ethoxy]-2-methyl-1-phenylpropan-1-amine
CID 125037675
N-tert-butyl-N-[1-[4-[[4-[2-[4-[[4-[1-[tert-butyl-[(1R)-2-methyl-1-phenylpropyl]amino]oxyethyl]phenyl]methoxy]phenyl]propan-2-yl]phenoxy]methyl]phenyl]ethoxy]-2-methyl-1-phenylpropan-1-amine
CID 91298010
(Z)-benzylidene-tert-butyl-hydroxyazanium;N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;N-tert-butyl-2-methyl-1-phenyl-N-(1-pyridin-4-ylethoxy)propan-1-amine
CID 162023064
N-[1-[4-(chloromethyl)phenyl]ethoxy]-2-methyl-N-(1-phenylethyl)propan-2-amine
CID 101256886
N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
CID 158212954
tert-butyl 4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-2-ethyl-4-phenylbutanoate
CID 59132546
N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 58983683
N-tert-butyl-N-[1-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-3-phenylbutoxy]-2-methyl-1-phenylpropan-1-amine
CID 59801505
methyl 3-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-2-methyl-2-(2-phenylpropyl)hexanoate
CID 121447581
3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate
CID 140706005
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686

Frequently Asked Questions

What is the IUPAC name of 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol?
The IUPAC name of 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol (CID 87840436) is 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol.
What is the SMILES notation for 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol?
The canonical SMILES for 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol is CC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol?
The InChIKey is BAWOUHMTQYMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-16(2)21(19-10-8-7-9-11-19)23(22(4,5)6)25-17(3)18-12-14-20(24)15-13-18/h7-17,21,24H,1-6H3.
What are the key properties of 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol?
4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol has a molecular weight of 341.50 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol is sourced from PubChem (CID 87840436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).