2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol

C23H30N2O3 — CID 25342863

IUPAC2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol
SMILESC=CCc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(O)c(OC)c1
InChIInChI=1S/C23H30N2O3/c1-4-5-19-14-20(23(26)22(15-19)27-3)17-24(2)16-18-6-8-21(9-7-18)25-10-12-28-13-11-25/h4,6-9,14-15,26H,1,5,10-13,16-17H2,2-3H3
InChIKeyYGBKECBMWVTGOK-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.60
Rot. Bonds8

About 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol

2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol (PubChem CID 25342863) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol
PubChem CID25342863
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol
SMILESC=CCc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(O)c(OC)c1
InChIInChI=1S/C23H30N2O3/c1-4-5-19-14-20(23(26)22(15-19)27-3)17-24(2)16-18-6-8-21(9-7-18)25-10-12-28-13-11-25/h4,6-9,14-15,26H,1,5,10-13,16-17H2,2-3H3
InChIKeyYGBKECBMWVTGOK-UHFFFAOYSA-N
XLogP3.60
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol
CID 2573931
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612863
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
CID 18207509
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
2-hydroxy-3-methoxy-5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]benzaldehyde
CID 139552152
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol?
The IUPAC name of 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol (CID 25342863) is 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol.
What is the SMILES notation for 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol?
The canonical SMILES for 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol is C=CCc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(O)c(OC)c1.
What is the InChIKey of 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol?
The InChIKey is YGBKECBMWVTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-5-19-14-20(23(26)22(15-19)27-3)17-24(2)16-18-6-8-21(9-7-18)25-10-12-28-13-11-25/h4,6-9,14-15,26H,1,5,10-13,16-17H2,2-3H3.
What are the key properties of 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol?
2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol has a molecular weight of 382.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol is sourced from PubChem (CID 25342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).