(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol

C15H23NO4 — CID 59867302

IUPAC(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
SMILESCCc1ccccc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23NO4/c1-2-9-5-3-4-6-11(9)16-12-7-10(8-17)13(18)15(20)14(12)19/h3-6,10,12-20H,2,7-8H2,1H3/t10-,12-,13-,14+,15+/m1/s1
InChIKeyUIDPVLLYFMNMAF-OLOXDWRXSA-N
MW281.35 g/mol
LogP0.12
Rot. Bonds4

About (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol

(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol (PubChem CID 59867302) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
PubChem CID59867302
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
SMILESCCc1ccccc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23NO4/c1-2-9-5-3-4-6-11(9)16-12-7-10(8-17)13(18)15(20)14(12)19/h3-6,10,12-20H,2,7-8H2,1H3/t10-,12-,13-,14+,15+/m1/s1
InChIKeyUIDPVLLYFMNMAF-OLOXDWRXSA-N
XLogP0.12
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol with MolForge

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Related Compounds

trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
4-(hydroxymethyl)-6-(methylamino)cyclohexane-1,2,3-triol
CID 59945574
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
CID 122172806
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
CID 97358541
N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43764534
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
The IUPAC name of (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol (CID 59867302) is (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol.
What is the SMILES notation for (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
The canonical SMILES for (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol is CCc1ccccc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
The InChIKey is UIDPVLLYFMNMAF-OLOXDWRXSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-9-5-3-4-6-11(9)16-12-7-10(8-17)13(18)15(20)14(12)19/h3-6,10,12-20H,2,7-8H2,1H3/t10-,12-,13-,14+,15+/m1/s1.
What are the key properties of (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol has a molecular weight of 281.35 g/mol, XLogP of 0.12, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol is sourced from PubChem (CID 59867302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).