1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C20H33NO3 — CID 13187531

IUPAC1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1
InChIInChI=1S/C20H33NO3/c1-16(2)21-14-18(22)15-24-20-10-8-17(9-11-20)12-13-23-19-6-4-3-5-7-19/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3
InChIKeyPDZZIEFEMVIIPQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.32
Rot. Bonds10

About 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 13187531) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID13187531
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1
InChIInChI=1S/C20H33NO3/c1-16(2)21-14-18(22)15-24-20-10-8-17(9-11-20)12-13-23-19-6-4-3-5-7-19/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3
InChIKeyPDZZIEFEMVIIPQ-UHFFFAOYSA-N
XLogP3.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 13187531) is 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is PDZZIEFEMVIIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-16(2)21-14-18(22)15-24-20-10-8-17(9-11-20)12-13-23-19-6-4-3-5-7-19/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 335.49 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclohexyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 13187531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).