(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol

C23H25NO — CID 7019180

IUPAC(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1
InChIKeyZXNVOFMPUPOZDF-QHCPKHFHSA-N
MW331.46 g/mol
LogP4.29
Rot. Bonds8

About (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol

(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol (PubChem CID 7019180) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol
PubChem CID7019180
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1
InChIKeyZXNVOFMPUPOZDF-QHCPKHFHSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.29
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-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol (CID 7019180) is (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol?
The InChIKey is ZXNVOFMPUPOZDF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol?
(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol has a molecular weight of 331.46 g/mol, XLogP of 4.29, 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-phenylpropan-1-ol is sourced from PubChem (CID 7019180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).