(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol

C15H23NO3 — CID 101200287

IUPAC(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol
SMILESC[C@@H]1C[C@@H](NCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO3/c1-10-9-12(14(18)15(19)13(10)17)16-8-7-11-5-3-2-4-6-11/h2-6,10,12-19H,7-9H2,1H3/t10-,12-,13-,14-,15-/m1/s1
InChIKeyAYJDCDFTVZFKTB-DIAXPKBXSA-N
MW265.35 g/mol
LogP0.31
Rot. Bonds4

About (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol

(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol (PubChem CID 101200287) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol
PubChem CID101200287
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol
SMILESC[C@@H]1C[C@@H](NCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO3/c1-10-9-12(14(18)15(19)13(10)17)16-8-7-11-5-3-2-4-6-11/h2-6,10,12-19H,7-9H2,1H3/t10-,12-,13-,14-,15-/m1/s1
InChIKeyAYJDCDFTVZFKTB-DIAXPKBXSA-N
XLogP0.31
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol with MolForge

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Related Compounds

(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
CID 7081007
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 101112827
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol?
The IUPAC name of (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol (CID 101200287) is (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol.
What is the SMILES notation for (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol?
The canonical SMILES for (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol is C[C@@H]1C[C@@H](NCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol?
The InChIKey is AYJDCDFTVZFKTB-DIAXPKBXSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-9-12(14(18)15(19)13(10)17)16-8-7-11-5-3-2-4-6-11/h2-6,10,12-19H,7-9H2,1H3/t10-,12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol?
(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol has a molecular weight of 265.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol is sourced from PubChem (CID 101200287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).