(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol

C22H35NO2 — CID 798688

IUPAC(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H35NO2/c24-22(18-25-17-19-10-4-1-5-11-19)16-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,20-22,24H,2-3,6-9,12-18H2/t22-/m1/s1
InChIKeyDTEMPXLYQBOHLH-JOCHJYFZSA-N
MW345.53 g/mol
LogP4.53
Rot. Bonds8

About (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol

(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 798688) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
PubChem CID798688
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H35NO2/c24-22(18-25-17-19-10-4-1-5-11-19)16-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,20-22,24H,2-3,6-9,12-18H2/t22-/m1/s1
InChIKeyDTEMPXLYQBOHLH-JOCHJYFZSA-N
XLogP4.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 111781995
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 2392576
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol
CID 10381299
1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol (CID 798688) is (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol is O[C@@H](COCc1ccccc1)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is DTEMPXLYQBOHLH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H35NO2/c24-22(18-25-17-19-10-4-1-5-11-19)16-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,20-22,24H,2-3,6-9,12-18H2/t22-/m1/s1.
What are the key properties of (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol?
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 345.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).