2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol

C23H24FNO — CID 66639454

IUPAC2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,22,26H,15-18H2
InChIKeyZEWCXVBDBSSVQX-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.43
Rot. Bonds8

About 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol

2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol (PubChem CID 66639454) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
PubChem CID66639454
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,22,26H,15-18H2
InChIKeyZEWCXVBDBSSVQX-UHFFFAOYSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol (CID 66639454) is 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol is OCC(Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
The InChIKey is ZEWCXVBDBSSVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,22,26H,15-18H2.
What are the key properties of 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol has a molecular weight of 349.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66639454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).