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

C19H21ClN2O2 — CID 135818068

IUPAC4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H21ClN2O2/c20-18-5-6-19(23)17(11-18)13-21-12-15-3-1-2-4-16(15)14-22-7-9-24-10-8-22/h1-6,11,13,23H,7-10,12,14H2/b21-13+
InChIKeyJBDPIWQXJSRKCB-FYJGNVAPSA-N
MW344.84 g/mol
LogP3.50
Rot. Bonds5

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

4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol (PubChem CID 135818068) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol
PubChem CID135818068
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H21ClN2O2/c20-18-5-6-19(23)17(11-18)13-21-12-15-3-1-2-4-16(15)14-22-7-9-24-10-8-22/h1-6,11,13,23H,7-10,12,14H2/b21-13+
InChIKeyJBDPIWQXJSRKCB-FYJGNVAPSA-N
XLogP3.50
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829042
4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135842388
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
2-[2-[[2-hydroxy-5-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-ylmethyl)phenyl]methylideneamino]ethyliminomethyl]-4-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-ylmethyl)phenol
CID 136898282
5-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 62986873
4-chloro-2-(furan-2-ylmethyliminomethyl)phenol
CID 135659260
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
CID 135595403
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
CID 70566541
4-chloro-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135659262
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol (CID 135818068) is 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/Cc1ccccc1CN1CCOCC1.
What is the InChIKey of 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The InChIKey is JBDPIWQXJSRKCB-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-18-5-6-19(23)17(11-18)13-21-12-15-3-1-2-4-16(15)14-22-7-9-24-10-8-22/h1-6,11,13,23H,7-10,12,14H2/b21-13+.
What are the key properties of 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol?
4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol has a molecular weight of 344.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol is sourced from PubChem (CID 135818068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).