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

C23H24FNO — CID 66697625

IUPAC(2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol
SMILESOC[C@H](Cc1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNO/c24-22-13-7-12-21(14-22)15-23(18-26)25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14,23,26H,15-18H2/t23-/m0/s1
InChIKeyUIWATCANURZYES-QHCPKHFHSA-N
MW349.45 g/mol
LogP4.43
Rot. Bonds8

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

(2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol (PubChem CID 66697625) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol
PubChem CID66697625
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name(2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol
SMILESOC[C@H](Cc1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNO/c24-22-13-7-12-21(14-22)15-23(18-26)25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14,23,26H,15-18H2/t23-/m0/s1
InChIKeyUIWATCANURZYES-QHCPKHFHSA-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 (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol (CID 66697625) is (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol is OC[C@H](Cc1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol?
The InChIKey is UIWATCANURZYES-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24FNO/c24-22-13-7-12-21(14-22)15-23(18-26)25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14,23,26H,15-18H2/t23-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol?
(2S)-2-(dibenzylamino)-3-(3-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 (2S)-2-(dibenzylamino)-3-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66697625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).