(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

C22H36N2O4 — CID 28872431

IUPAC(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc(CNCC2CCCCC2)ccc1OC[C@H](O)CN1CCOCC1
InChIInChI=1S/C22H36N2O4/c1-26-22-13-19(15-23-14-18-5-3-2-4-6-18)7-8-21(22)28-17-20(25)16-24-9-11-27-12-10-24/h7-8,13,18,20,23,25H,2-6,9-12,14-17H2,1H3/t20-/m1/s1
InChIKeyVYNXMYWYWQAHNQ-HXUWFJFHSA-N
MW392.54 g/mol
LogP2.44
Rot. Bonds10

About (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 28872431) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID28872431
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc(CNCC2CCCCC2)ccc1OC[C@H](O)CN1CCOCC1
InChIInChI=1S/C22H36N2O4/c1-26-22-13-19(15-23-14-18-5-3-2-4-6-18)7-8-21(22)28-17-20(25)16-24-9-11-27-12-10-24/h7-8,13,18,20,23,25H,2-6,9-12,14-17H2,1H3/t20-/m1/s1
InChIKeyVYNXMYWYWQAHNQ-HXUWFJFHSA-N
XLogP2.44
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
(2R)-1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 26405119
1-[2-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45201700
(2S)-1-[4-[[cyclopentylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269233
1-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45230545
1-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72928593
1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45183430
(2S)-1-[2-methoxy-4-[(2-phenoxyethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29027193
1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45224693
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
1-[4-[(cycloheptylamino)methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 45239803

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (CID 28872431) is (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is COc1cc(CNCC2CCCCC2)ccc1OC[C@H](O)CN1CCOCC1.
What is the InChIKey of (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is VYNXMYWYWQAHNQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-26-22-13-19(15-23-14-18-5-3-2-4-6-18)7-8-21(22)28-17-20(25)16-24-9-11-27-12-10-24/h7-8,13,18,20,23,25H,2-6,9-12,14-17H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 392.54 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 28872431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).