1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

C24H37NO2 — CID 22330841

IUPAC1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H37NO2/c1-2-11-20-12-9-10-17-24(20)27-19-23(26)18-25(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h2,9-10,12,17,21-23,26H,1,3-8,11,13-16,18-19H2
InChIKeyMLILOCPMFGYBCX-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.12
Rot. Bonds9

About 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 22330841) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID22330841
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H37NO2/c1-2-11-20-12-9-10-17-24(20)27-19-23(26)18-25(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h2,9-10,12,17,21-23,26H,1,3-8,11,13-16,18-19H2
InChIKeyMLILOCPMFGYBCX-UHFFFAOYSA-N
XLogP5.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
CID 2142734
1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-[[prop-2-enyl(prop-2-ynyl)amino]methyl]phenoxy]propan-2-ol
CID 42362650
4-[[[2-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol
CID 42355676
1-cyclohexyloxy-2-prop-2-enylbenzene
CID 14946074
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
1-(2-cyclopentylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138960308
(2R)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 124839222

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 22330841) is 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is MLILOCPMFGYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-2-11-20-12-9-10-17-24(20)27-19-23(26)18-25(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h2,9-10,12,17,21-23,26H,1,3-8,11,13-16,18-19H2.
What are the key properties of 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 371.57 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 22330841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).