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

C19H31NO3 — CID 13187527

IUPAC1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
InChIInChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
InChIKeySCYPZOOXJIXOSC-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.93
Rot. Bonds10

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

1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 13187527) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID13187527
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
InChIInChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
InChIKeySCYPZOOXJIXOSC-UHFFFAOYSA-N
XLogP2.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 13187527) is 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1.
What is the InChIKey of 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SCYPZOOXJIXOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 321.46 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopentyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 13187527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).