2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol

C18H23NO2 — CID 59768381

IUPAC2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
SMILESCC(C)(C)NCc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C18H23NO2/c1-18(2,3)19-12-15-9-10-16(11-17(15)20)21-13-14-7-5-4-6-8-14/h4-11,19-20H,12-13H2,1-3H3
InChIKeySOGMIJBKJVNLJX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol

2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol (PubChem CID 59768381) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
PubChem CID59768381
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
SMILESCC(C)(C)NCc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C18H23NO2/c1-18(2,3)19-12-15-9-10-16(11-17(15)20)21-13-14-7-5-4-6-8-14/h4-11,19-20H,12-13H2,1-3H3
InChIKeySOGMIJBKJVNLJX-UHFFFAOYSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-(2-aminobutyl)-5-phenylmethoxyphenol
CID 170889335
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 129255521
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol (CID 59768381) is 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol is CC(C)(C)NCc1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol?
The InChIKey is SOGMIJBKJVNLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)19-12-15-9-10-16(11-17(15)20)21-13-14-7-5-4-6-8-14/h4-11,19-20H,12-13H2,1-3H3.
What are the key properties of 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol?
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol has a molecular weight of 285.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol is sourced from PubChem (CID 59768381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).