(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol

C20H25NO3 — CID 140863633

IUPAC(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol
SMILESCC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)[C@H](O)O1
InChIInChI=1S/C20H25NO3/c1-15-12-18(19(22)20(23)24-15)21(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15,18-20,22-23H,12-14H2,1H3/t15?,18?,19?,20-/m1/s1
InChIKeyIXXGOFZXXZHBBX-LHRBRMLMSA-N
MW327.42 g/mol
LogP2.55
Rot. Bonds5

About (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol

(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol (PubChem CID 140863633) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol.

Molecular Properties

Compound Name(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol
PubChem CID140863633
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol
SMILESCC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)[C@H](O)O1
InChIInChI=1S/C20H25NO3/c1-15-12-18(19(22)20(23)24-15)21(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15,18-20,22-23H,12-14H2,1H3/t15?,18?,19?,20-/m1/s1
InChIKeyIXXGOFZXXZHBBX-LHRBRMLMSA-N
XLogP2.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol
CID 134310462
4-(dibenzylamino)oxolan-3-ol
CID 130502990
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
N,N-dibenzyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine
CID 134949426
[(2S,3R,4S,6R)-4-(dibenzylamino)-6-methyl-2-pyrimidin-2-ylsulfanyloxan-3-yl] benzoate
CID 122574579
(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol
CID 71500771
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
CID 130503382
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate
CID 159380443
N,N-dibenzyl-2-butylcyclopropan-1-amine
CID 86030986
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol?
The IUPAC name of (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol (CID 140863633) is (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol.
What is the SMILES notation for (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol?
The canonical SMILES for (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol is CC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)[C@H](O)O1.
What is the InChIKey of (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol?
The InChIKey is IXXGOFZXXZHBBX-LHRBRMLMSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-12-18(19(22)20(23)24-15)21(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15,18-20,22-23H,12-14H2,1H3/t15?,18?,19?,20-/m1/s1.
What are the key properties of (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol?
(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol has a molecular weight of 327.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol is sourced from PubChem (CID 140863633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).