1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine

C14H22N4O — CID 15746464

IUPAC1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine
SMILESCN(C)/C(N)=N/c1ccccc1CN1CCOCC1
InChIInChI=1S/C14H22N4O/c1-17(2)14(15)16-13-6-4-3-5-12(13)11-18-7-9-19-10-8-18/h3-6H,7-11H2,1-2H3,(H2,15,16)
InChIKeyUQIUWSUPVVOCBM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.03
Rot. Bonds3

About 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine

1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine (PubChem CID 15746464) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine
PubChem CID15746464
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine
SMILESCN(C)/C(N)=N/c1ccccc1CN1CCOCC1
InChIInChI=1S/C14H22N4O/c1-17(2)14(15)16-13-6-4-3-5-12(13)11-18-7-9-19-10-8-18/h3-6H,7-11H2,1-2H3,(H2,15,16)
InChIKeyUQIUWSUPVVOCBM-UHFFFAOYSA-N
XLogP1.03
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-azidophenyl)methyl]morpholine
CID 151936808
1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033230
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
1-tert-butyl-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110966603
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
1-(3,5-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033224
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111375355
2-methyl-1-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374717
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982336
CID 131887032
CID 131887032
(E)-N-methoxy-1-[2-(morpholin-4-ylmethyl)phenyl]ethanimine
CID 90882108
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine (CID 15746464) is 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine is CN(C)/C(N)=N/c1ccccc1CN1CCOCC1.
What is the InChIKey of 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine?
The InChIKey is UQIUWSUPVVOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)14(15)16-13-6-4-3-5-12(13)11-18-7-9-19-10-8-18/h3-6H,7-11H2,1-2H3,(H2,15,16).
What are the key properties of 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine?
1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine has a molecular weight of 262.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[2-(morpholin-4-ylmethyl)phenyl]guanidine is sourced from PubChem (CID 15746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).