1-benzhydryloxy-3-(diethylamino)propan-2-ol

C20H27NO2 — CID 4963216

IUPAC1-benzhydryloxy-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-21(4-2)15-19(22)16-23-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,22H,3-4,15-16H2,1-2H3
InChIKeyDTCMJGIBNCISMP-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.50
Rot. Bonds9

About 1-benzhydryloxy-3-(diethylamino)propan-2-ol

1-benzhydryloxy-3-(diethylamino)propan-2-ol (PubChem CID 4963216) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(diethylamino)propan-2-ol
PubChem CID4963216
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-benzhydryloxy-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-21(4-2)15-19(22)16-23-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,22H,3-4,15-16H2,1-2H3
InChIKeyDTCMJGIBNCISMP-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(diethylamino)propan-2-ol (CID 4963216) is 1-benzhydryloxy-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxy-3-(diethylamino)propan-2-ol?
The InChIKey is DTCMJGIBNCISMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-21(4-2)15-19(22)16-23-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,22H,3-4,15-16H2,1-2H3.
What are the key properties of 1-benzhydryloxy-3-(diethylamino)propan-2-ol?
1-benzhydryloxy-3-(diethylamino)propan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 4963216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).