(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol

C13H27NO2 — CID 98888549

IUPAC(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol
SMILESCOC[C@H](O)CN(C)C[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C13H27NO2/c1-11-6-4-5-7-12(11)8-14(2)9-13(15)10-16-3/h11-13,15H,4-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyWHTLRLOOPCQAJD-RWMBFGLXSA-N
MW229.36 g/mol
LogP1.75
Rot. Bonds6

About (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol

(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol (PubChem CID 98888549) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol
PubChem CID98888549
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol
SMILESCOC[C@H](O)CN(C)C[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C13H27NO2/c1-11-6-4-5-7-12(11)8-14(2)9-13(15)10-16-3/h11-13,15H,4-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyWHTLRLOOPCQAJD-RWMBFGLXSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol
CID 104523833
1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol
CID 63861143
1-methoxy-3-[methyl(piperidin-3-ylmethyl)amino]propan-2-ol
CID 80554421
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
CID 62610370
4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
CID 62610112
1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62015764
2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 109394088
4-hydroxy-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106498610
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317593
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol (CID 98888549) is (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol is COC[C@H](O)CN(C)C[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol?
The InChIKey is WHTLRLOOPCQAJD-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11-6-4-5-7-12(11)8-14(2)9-13(15)10-16-3/h11-13,15H,4-10H2,1-3H3/t11-,12-,13+/m0/s1.
What are the key properties of (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol?
(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 98888549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).