4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol

C20H25N2O3+ — CID 135818085

IUPAC4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/Cc2ccc(C[NH+]3CCOCC3)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-19-6-7-20(23)18(12-19)14-21-13-16-2-4-17(5-3-16)15-22-8-10-25-11-9-22/h2-7,12,14,23H,8-11,13,15H2,1H3/p+1/b21-14+
InChIKeyYKOZNFCGCPYBSO-KGENOOAVSA-O
MW341.43 g/mol
LogP1.43
Rot. Bonds6

About 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol

4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol (PubChem CID 135818085) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
PubChem CID135818085
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/Cc2ccc(C[NH+]3CCOCC3)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-19-6-7-20(23)18(12-19)14-21-13-16-2-4-17(5-3-16)15-22-8-10-25-11-9-22/h2-7,12,14,23H,8-11,13,15H2,1H3/p+1/b21-14+
InChIKeyYKOZNFCGCPYBSO-KGENOOAVSA-O
XLogP1.43
TPSA55.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 135818045
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
CID 6942878
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
4-chloro-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135596196
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol (CID 135818085) is 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol is COc1ccc(O)c(/C=N/Cc2ccc(C[NH+]3CCOCC3)cc2)c1.
What is the InChIKey of 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The InChIKey is YKOZNFCGCPYBSO-KGENOOAVSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-6-7-20(23)18(12-19)14-21-13-16-2-4-17(5-3-16)15-22-8-10-25-11-9-22/h2-7,12,14,23H,8-11,13,15H2,1H3/p+1/b21-14+.
What are the key properties of 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol has a molecular weight of 341.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol is sourced from PubChem (CID 135818085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).