(2R)-2-(dibenzylamino)butane-1,4-diol

C18H23NO2 — CID 122547944

IUPAC(2R)-2-(dibenzylamino)butane-1,4-diol
SMILESOCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-12-11-18(15-21)19(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18,20-21H,11-15H2/t18-/m1/s1
InChIKeyKPPQWUMLKSULQV-GOSISDBHSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds8

About (2R)-2-(dibenzylamino)butane-1,4-diol

(2R)-2-(dibenzylamino)butane-1,4-diol (PubChem CID 122547944) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)butane-1,4-diol.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)butane-1,4-diol
PubChem CID122547944
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R)-2-(dibenzylamino)butane-1,4-diol
SMILESOCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-12-11-18(15-21)19(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18,20-21H,11-15H2/t18-/m1/s1
InChIKeyKPPQWUMLKSULQV-GOSISDBHSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10469724
(2S)-2-(dibenzylamino)-4-pyrrol-1-ylbutan-1-ol
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(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
2-[2-(dibenzylamino)-4-hydroxybutyl]isoindole-1,3-dione
CID 85102916
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[benzyl-[(2S)-1-hydroxypentan-2-yl]amino]acetonitrile
CID 11550414
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
CID 66639453
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol
CID 129408054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)butane-1,4-diol?
The IUPAC name of (2R)-2-(dibenzylamino)butane-1,4-diol (CID 122547944) is (2R)-2-(dibenzylamino)butane-1,4-diol.
What is the SMILES notation for (2R)-2-(dibenzylamino)butane-1,4-diol?
The canonical SMILES for (2R)-2-(dibenzylamino)butane-1,4-diol is OCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)butane-1,4-diol?
The InChIKey is KPPQWUMLKSULQV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO2/c20-12-11-18(15-21)19(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18,20-21H,11-15H2/t18-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)butane-1,4-diol?
(2R)-2-(dibenzylamino)butane-1,4-diol has a molecular weight of 285.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)butane-1,4-diol is sourced from PubChem (CID 122547944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).