3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol

C25H29NO2 — CID 59570730

IUPAC3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(Oc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H29NO2/c1-20(2)26(19-21-9-5-3-6-10-21)18-17-25(27)22-13-15-24(16-14-22)28-23-11-7-4-8-12-23/h3-16,20,25,27H,17-19H2,1-2H3
InChIKeyUIOHWXHWZSHCNA-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.81
Rot. Bonds9

About 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol

3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol (PubChem CID 59570730) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol
PubChem CID59570730
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(Oc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H29NO2/c1-20(2)26(19-21-9-5-3-6-10-21)18-17-25(27)22-13-15-24(16-14-22)28-23-11-7-4-8-12-23/h3-16,20,25,27H,17-19H2,1-2H3
InChIKeyUIOHWXHWZSHCNA-UHFFFAOYSA-N
XLogP5.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol (CID 59570730) is 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol is CC(C)N(CCC(O)c1ccc(Oc2ccccc2)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol?
The InChIKey is UIOHWXHWZSHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-20(2)26(19-21-9-5-3-6-10-21)18-17-25(27)22-13-15-24(16-14-22)28-23-11-7-4-8-12-23/h3-16,20,25,27H,17-19H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol has a molecular weight of 375.51 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol is sourced from PubChem (CID 59570730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).