3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol

C21H27NO — CID 71452041

IUPAC3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol
SMILESOc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
InChIInChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
InChIKeyYNVKFHIWFDRVNY-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.28
Rot. Bonds8

About 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol

3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol (PubChem CID 71452041) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol
PubChem CID71452041
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol
SMILESOc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
InChIInChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
InChIKeyYNVKFHIWFDRVNY-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol?
The IUPAC name of 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol (CID 71452041) is 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol?
The canonical SMILES for 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol is Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1.
What is the InChIKey of 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol?
The InChIKey is YNVKFHIWFDRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2.
What are the key properties of 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol?
3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol has a molecular weight of 309.45 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol is sourced from PubChem (CID 71452041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).