1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

C20H33NO5 — CID 3416277

IUPAC1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cc(COCC(O)CN(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H33NO5/c1-21(16-8-6-5-7-9-16)12-17(22)14-26-13-15-10-18(23-2)20(25-4)19(11-15)24-3/h10-11,16-17,22H,5-9,12-14H2,1-4H3
InChIKeyHKRBZVMRTBSOHE-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.85
Rot. Bonds10

About 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol (PubChem CID 3416277) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
PubChem CID3416277
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cc(COCC(O)CN(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H33NO5/c1-21(16-8-6-5-7-9-16)12-17(22)14-26-13-15-10-18(23-2)20(25-4)19(11-15)24-3/h10-11,16-17,22H,5-9,12-14H2,1-4H3
InChIKeyHKRBZVMRTBSOHE-UHFFFAOYSA-N
XLogP2.85
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
1-(1,3-benzodioxol-5-ylmethoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol chloride
CID 46863797
(2S)-1-[(2R)-2-methylpiperidin-1-ium-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 7818080
1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 45251859
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 42121468
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 45176941
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
CID 45252406
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol (CID 3416277) is 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol is COc1cc(COCC(O)CN(C)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The InChIKey is HKRBZVMRTBSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5/c1-21(16-8-6-5-7-9-16)12-17(22)14-26-13-15-10-18(23-2)20(25-4)19(11-15)24-3/h10-11,16-17,22H,5-9,12-14H2,1-4H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol has a molecular weight of 367.49 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 3416277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).