2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol

C18H19N3O4 — CID 961055

IUPAC2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C18H19N3O4/c22-18-6-5-17(21(23)24)11-15(18)12-19-16-3-1-14(2-4-16)13-20-7-9-25-10-8-20/h1-6,11-12,22H,7-10,13H2/b19-12+
InChIKeyWZNSYVIUKCSOTP-XDHOZWIPSA-N
MW341.37 g/mol
LogP2.88
Rot. Bonds5

About 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol

2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol (PubChem CID 961055) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol
PubChem CID961055
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C18H19N3O4/c22-18-6-5-17(21(23)24)11-15(18)12-19-16-3-1-14(2-4-16)13-20-7-9-25-10-8-20/h1-6,11-12,22H,7-10,13H2/b19-12+
InChIKeyWZNSYVIUKCSOTP-XDHOZWIPSA-N
XLogP2.88
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
CID 137092270
4-nitro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829043
2-[(Z)-morpholin-4-yliminomethyl]-4-nitrophenol
CID 135726926
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-nitrophenol
CID 135595401
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
2-[[4-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137043484
N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 126003279
1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol
CID 135814326
N,N-bis(2-methylpropyl)-2-[(4-morpholin-4-ylphenyl)iminomethyl]-4-nitroaniline
CID 15996017
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol (CID 961055) is 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol?
The InChIKey is WZNSYVIUKCSOTP-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18-6-5-17(21(23)24)11-15(18)12-19-16-3-1-14(2-4-16)13-20-7-9-25-10-8-20/h1-6,11-12,22H,7-10,13H2/b19-12+.
What are the key properties of 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol?
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol has a molecular weight of 341.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol is sourced from PubChem (CID 961055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).