5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol

C21H29N3O2S — CID 135774363

IUPAC5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/C[C@@H](c2cccs2)N2CCOCC2)c(O)c1
InChIInChI=1S/C21H29N3O2S/c1-3-23(4-2)18-8-7-17(20(25)14-18)15-22-16-19(21-6-5-13-27-21)24-9-11-26-12-10-24/h5-8,13-15,19,25H,3-4,9-12,16H2,1-2H3/b22-15+/t19-/m0/s1
InChIKeyVMRBLQMVVDECKF-OMNSNBSWSA-N
MW387.55 g/mol
LogP3.79
Rot. Bonds8

About 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol

5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol (PubChem CID 135774363) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
PubChem CID135774363
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/C[C@@H](c2cccs2)N2CCOCC2)c(O)c1
InChIInChI=1S/C21H29N3O2S/c1-3-23(4-2)18-8-7-17(20(25)14-18)15-22-16-19(21-6-5-13-27-21)24-9-11-26-12-10-24/h5-8,13-15,19,25H,3-4,9-12,16H2,1-2H3/b22-15+/t19-/m0/s1
InChIKeyVMRBLQMVVDECKF-OMNSNBSWSA-N
XLogP3.79
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027017
5-(diethylamino)-2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135774385
5-(diethylamino)-2-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135774387
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 2343475
3-ethyl-1,1-dimethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283658
5-(diethylamino)-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171272314
2,4-dichloro-6-[[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758215
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol (CID 135774363) is 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N/C[C@@H](c2cccs2)N2CCOCC2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The InChIKey is VMRBLQMVVDECKF-OMNSNBSWSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-3-23(4-2)18-8-7-17(20(25)14-18)15-22-16-19(21-6-5-13-27-21)24-9-11-26-12-10-24/h5-8,13-15,19,25H,3-4,9-12,16H2,1-2H3/b22-15+/t19-/m0/s1.
What are the key properties of 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol has a molecular weight of 387.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135774363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).