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

C20H33NO4 — CID 132777480

IUPAC1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccc(OCCCO)cc1)CC(O)COC1CCCCC1
InChIInChI=1S/C20H33NO4/c1-21(15-18(23)16-25-19-6-3-2-4-7-19)14-17-8-10-20(11-9-17)24-13-5-12-22/h8-11,18-19,22-23H,2-7,12-16H2,1H3
InChIKeyATYFMAPYKHMJII-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.59
Rot. Bonds11

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

1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol (PubChem CID 132777480) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol
PubChem CID132777480
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccc(OCCCO)cc1)CC(O)COC1CCCCC1
InChIInChI=1S/C20H33NO4/c1-21(15-18(23)16-25-19-6-3-2-4-7-19)14-17-8-10-20(11-9-17)24-13-5-12-22/h8-11,18-19,22-23H,2-7,12-16H2,1H3
InChIKeyATYFMAPYKHMJII-UHFFFAOYSA-N
XLogP2.59
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyloxy-3-[methyl-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]propan-2-ol
CID 155984691
1-[3-[4-[[[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129455458
2-[4-[[(3-cyclohexyloxy-2-hydroxypropyl)-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155984686
(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol
CID 129455200
1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 155984690
(2S)-1-[(4-hexoxyphenyl)methyl-methylamino]propan-2-ol
CID 99783620
(2S)-1-(2,4-dimethylphenoxy)-3-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]propan-2-ol
CID 129457349
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
4-[2-hydroxy-3-[methyl-[(4-methylphenyl)methyl]amino]propoxy]benzonitrile
CID 51160351

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol (CID 132777480) is 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol is CN(Cc1ccc(OCCCO)cc1)CC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol?
The InChIKey is ATYFMAPYKHMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-21(15-18(23)16-25-19-6-3-2-4-7-19)14-17-8-10-20(11-9-17)24-13-5-12-22/h8-11,18-19,22-23H,2-7,12-16H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol?
1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol has a molecular weight of 351.49 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 132777480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).