1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol

C21H35NO5 — CID 155984690

IUPAC1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCOCCOc1cc(CN(C)CC(O)COC2CCCCC2)ccc1OC
InChIInChI=1S/C21H35NO5/c1-22(15-18(23)16-27-19-7-5-4-6-8-19)14-17-9-10-20(25-3)21(13-17)26-12-11-24-2/h9-10,13,18-19,23H,4-8,11-12,14-16H2,1-3H3
InChIKeyHJBIKJFSRFNXRK-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.86
Rot. Bonds12

About 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol

1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol (PubChem CID 155984690) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol
PubChem CID155984690
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Name1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCOCCOc1cc(CN(C)CC(O)COC2CCCCC2)ccc1OC
InChIInChI=1S/C21H35NO5/c1-22(15-18(23)16-27-19-7-5-4-6-8-19)14-17-9-10-20(25-3)21(13-17)26-12-11-24-2/h9-10,13,18-19,23H,4-8,11-12,14-16H2,1-3H3
InChIKeyHJBIKJFSRFNXRK-UHFFFAOYSA-N
XLogP2.86
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol
CID 132777480
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 45176941
(2R)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282788
(2S)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282784
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
CID 45252406
2-[4-[[(3-cyclohexyloxy-2-hydroxypropyl)-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155984686
1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 45249548
1-cyclohexyloxy-3-[methyl-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]propan-2-ol
CID 155984691
(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol
CID 129455200
1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 45251859

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol (CID 155984690) is 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol is COCCOc1cc(CN(C)CC(O)COC2CCCCC2)ccc1OC.
What is the InChIKey of 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
The InChIKey is HJBIKJFSRFNXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO5/c1-22(15-18(23)16-27-19-7-5-4-6-8-19)14-17-9-10-20(25-3)21(13-17)26-12-11-24-2/h9-10,13,18-19,23H,4-8,11-12,14-16H2,1-3H3.
What are the key properties of 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol has a molecular weight of 381.51 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 155984690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).