3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol

C22H37NO — CID 10382052

IUPAC3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol
SMILESCC(C)(C)c1cc(O)c(CCNC2CCCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C22H37NO/c1-21(2,3)16-14-19(22(4,5)6)18(20(24)15-16)12-13-23-17-10-8-7-9-11-17/h14-15,17,23-24H,7-13H2,1-6H3
InChIKeyNLLQGMINWJYUEN-UHFFFAOYSA-N
MW331.54 g/mol
LogP5.45
Rot. Bonds4

About 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol

3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol (PubChem CID 10382052) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol.

Molecular Properties

Compound Name3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol
PubChem CID10382052
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol
SMILESCC(C)(C)c1cc(O)c(CCNC2CCCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C22H37NO/c1-21(2,3)16-14-19(22(4,5)6)18(20(24)15-16)12-13-23-17-10-8-7-9-11-17/h14-15,17,23-24H,7-13H2,1-6H3
InChIKeyNLLQGMINWJYUEN-UHFFFAOYSA-N
XLogP5.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol?
The IUPAC name of 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol (CID 10382052) is 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol.
What is the SMILES notation for 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol?
The canonical SMILES for 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol is CC(C)(C)c1cc(O)c(CCNC2CCCCC2)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol?
The InChIKey is NLLQGMINWJYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-21(2,3)16-14-19(22(4,5)6)18(20(24)15-16)12-13-23-17-10-8-7-9-11-17/h14-15,17,23-24H,7-13H2,1-6H3.
What are the key properties of 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol?
3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol has a molecular weight of 331.54 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol is sourced from PubChem (CID 10382052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).