(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol

C20H33NO2 — CID 10381299

IUPAC(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol
SMILESCCN(CC)[C@@H](COCc1ccccc1)[C@H](O)C1CCCCC1
InChIInChI=1S/C20H33NO2/c1-3-21(4-2)19(20(22)18-13-9-6-10-14-18)16-23-15-17-11-7-5-8-12-17/h5,7-8,11-12,18-20,22H,3-4,6,9-10,13-16H2,1-2H3/t19-,20+/m0/s1
InChIKeyVVRQCLLMLIBHSY-VQTJNVASSA-N
MW319.49 g/mol
LogP3.85
Rot. Bonds9

About (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol

(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol (PubChem CID 10381299) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol
PubChem CID10381299
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol
SMILESCCN(CC)[C@@H](COCc1ccccc1)[C@H](O)C1CCCCC1
InChIInChI=1S/C20H33NO2/c1-3-21(4-2)19(20(22)18-13-9-6-10-14-18)16-23-15-17-11-7-5-8-12-17/h5,7-8,11-12,18-20,22H,3-4,6,9-10,13-16H2,1-2H3/t19-,20+/m0/s1
InChIKeyVVRQCLLMLIBHSY-VQTJNVASSA-N
XLogP3.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-cyclopentyl-2-phenylmethoxyethanamine;hydrochloride
CID 67701372
cyclohexyl(phenylmethoxy)methanol
CID 54334195
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol (CID 10381299) is (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol is CCN(CC)[C@@H](COCc1ccccc1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol?
The InChIKey is VVRQCLLMLIBHSY-VQTJNVASSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-21(4-2)19(20(22)18-13-9-6-10-14-18)16-23-15-17-11-7-5-8-12-17/h5,7-8,11-12,18-20,22H,3-4,6,9-10,13-16H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol?
(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 10381299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).