(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol

C24H27NO2 — CID 11142964

IUPAC(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
SMILESOC[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c26-19-24(27)23(16-20-10-4-1-5-11-20)25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24,26-27H,16-19H2/t23-,24-/m0/s1
InChIKeyDDKWOBSGZHQFQP-ZEQRLZLVSA-N
MW361.49 g/mol
LogP3.65
Rot. Bonds9

About (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol

(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol (PubChem CID 11142964) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
PubChem CID11142964
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
SMILESOC[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c26-19-24(27)23(16-20-10-4-1-5-11-20)25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24,26-27H,16-19H2/t23-,24-/m0/s1
InChIKeyDDKWOBSGZHQFQP-ZEQRLZLVSA-N
XLogP3.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
(2R,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-ol;hydrochloride
CID 69339752
(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
CID 70292967
[3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] acetate
CID 53395265
ethyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanoate
CID 14463509
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
(2R,3S)-3-(dibenzylamino)-1-pentylsulfanyl-4-phenylbutan-2-ol
CID 102512935
ethyl (3R,4R)-4-(dibenzylamino)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 11213030
(2S,3S)-3-benzylbutane-1,2,4-triol
CID 13198346
(3S,4S)-3-(dibenzylamino)-4-hydroxyhexanoic acid
CID 11759226
[(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] pent-2-enoate
CID 57354978
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol?
The IUPAC name of (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol (CID 11142964) is (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol?
The canonical SMILES for (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol is OC[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol?
The InChIKey is DDKWOBSGZHQFQP-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H27NO2/c26-19-24(27)23(16-20-10-4-1-5-11-20)25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24,26-27H,16-19H2/t23-,24-/m0/s1.
What are the key properties of (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol?
(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol has a molecular weight of 361.49 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol is sourced from PubChem (CID 11142964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).