1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol

C23H31NO2 — CID 4963214

IUPAC1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)COC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31NO2/c1-24(21-15-9-4-10-16-21)17-22(25)18-26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-23,25H,4,9-10,15-18H2,1H3
InChIKeyBJUZJRDGGZMYBB-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.42
Rot. Bonds8

About 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol

1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol (PubChem CID 4963214) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol
PubChem CID4963214
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)COC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31NO2/c1-24(21-15-9-4-10-16-21)17-22(25)18-26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-23,25H,4,9-10,15-18H2,1H3
InChIKeyBJUZJRDGGZMYBB-UHFFFAOYSA-N
XLogP4.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol (CID 4963214) is 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol is CN(CC(O)COC(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol?
The InChIKey is BJUZJRDGGZMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-24(21-15-9-4-10-16-21)17-22(25)18-26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-23,25H,4,9-10,15-18H2,1H3.
What are the key properties of 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol?
1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol has a molecular weight of 353.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-[cyclohexyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 4963214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).