(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol

C24H27NO2 — CID 101031219

IUPAC(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
SMILESOC[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c26-18-24(20-27-19-23-14-8-3-9-15-23)25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-15,24,26H,16-20H2/t24-/m1/s1
InChIKeyWYPDMSNXHUNHOE-XMMPIXPASA-N
MW361.49 g/mol
LogP4.27
Rot. Bonds10

About (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol

(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol (PubChem CID 101031219) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
PubChem CID101031219
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
SMILESOC[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c26-18-24(20-27-19-23-14-8-3-9-15-23)25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-15,24,26H,16-20H2/t24-/m1/s1
InChIKeyWYPDMSNXHUNHOE-XMMPIXPASA-N
XLogP4.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-2-(dibenzylamino)propan-1-ol
CID 163833677
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol
CID 162489627
tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 69221436
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal
CID 11783340
CID 172760983
CID 172760983
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
methyl (2S)-2-(dibenzylamino)-3-phenylmethoxypropanoate
CID 15549566
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
(1S,2S)-1-(cyclopenten-1-yl)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 10993642
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol?
The IUPAC name of (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol (CID 101031219) is (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol is OC[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol?
The InChIKey is WYPDMSNXHUNHOE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27NO2/c26-18-24(20-27-19-23-14-8-3-9-15-23)25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-15,24,26H,16-20H2/t24-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol?
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol has a molecular weight of 361.49 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 101031219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).