1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol

C19H25NO2 — CID 2850182

IUPAC1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol
SMILESCC(CCc1ccccc1)NCC(O)COc1ccccc1
InChIInChI=1S/C19H25NO2/c1-16(12-13-17-8-4-2-5-9-17)20-14-18(21)15-22-19-10-6-3-7-11-19/h2-11,16,18,20-21H,12-15H2,1H3
InChIKeyUGMRTWWXYQCHGT-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.04
Rot. Bonds9

About 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol

1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol (PubChem CID 2850182) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol
PubChem CID2850182
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol
SMILESCC(CCc1ccccc1)NCC(O)COc1ccccc1
InChIInChI=1S/C19H25NO2/c1-16(12-13-17-8-4-2-5-9-17)20-14-18(21)15-22-19-10-6-3-7-11-19/h2-11,16,18,20-21H,12-15H2,1H3
InChIKeyUGMRTWWXYQCHGT-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol (CID 2850182) is 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol is CC(CCc1ccccc1)NCC(O)COc1ccccc1.
What is the InChIKey of 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol?
The InChIKey is UGMRTWWXYQCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-16(12-13-17-8-4-2-5-9-17)20-14-18(21)15-22-19-10-6-3-7-11-19/h2-11,16,18,20-21H,12-15H2,1H3.
What are the key properties of 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol?
1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-(4-phenylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 2850182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).