2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine

C23H33NO — CID 68714462

IUPAC2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine
SMILESCC(C)(C)c1cc(OCc2ccccc2)c(CCN)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO/c1-22(2,3)18-14-20(23(4,5)6)19(12-13-24)21(15-18)25-16-17-10-8-7-9-11-17/h7-11,14-15H,12-13,16,24H2,1-6H3
InChIKeyKWSRDSQDMBYHDY-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.36
Rot. Bonds5

About 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine

2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine (PubChem CID 68714462) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine
PubChem CID68714462
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine
SMILESCC(C)(C)c1cc(OCc2ccccc2)c(CCN)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO/c1-22(2,3)18-14-20(23(4,5)6)19(12-13-24)21(15-18)25-16-17-10-8-7-9-11-17/h7-11,14-15H,12-13,16,24H2,1-6H3
InChIKeyKWSRDSQDMBYHDY-UHFFFAOYSA-N
XLogP5.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
3,5-ditert-butyl-2-phenylmethoxybenzoyl chloride
CID 102210368
tris[[4-(2-aminoethyl)-3,5-ditert-butylphenyl]methyl] phosphite
CID 139990791
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
CID 18409158

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine (CID 68714462) is 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine is CC(C)(C)c1cc(OCc2ccccc2)c(CCN)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine?
The InChIKey is KWSRDSQDMBYHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-22(2,3)18-14-20(23(4,5)6)19(12-13-24)21(15-18)25-16-17-10-8-7-9-11-17/h7-11,14-15H,12-13,16,24H2,1-6H3.
What are the key properties of 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine?
2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine has a molecular weight of 339.52 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 68714462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).