1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine

C23H32N4O2 — CID 111282649

IUPAC1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
SMILESC/N=C(\NCC(c1ccccc1)N1CCOCC1)N(C)Cc1ccccc1OC
InChIInChI=1S/C23H32N4O2/c1-24-23(26(2)18-20-11-7-8-12-22(20)28-3)25-17-21(19-9-5-4-6-10-19)27-13-15-29-16-14-27/h4-12,21H,13-18H2,1-3H3,(H,24,25)
InChIKeyDPRCZWHBFJGPMW-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.78
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine

1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine (PubChem CID 111282649) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
PubChem CID111282649
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
SMILESC/N=C(\NCC(c1ccccc1)N1CCOCC1)N(C)Cc1ccccc1OC
InChIInChI=1S/C23H32N4O2/c1-24-23(26(2)18-20-11-7-8-12-22(20)28-3)25-17-21(19-9-5-4-6-10-19)27-13-15-29-16-14-27/h4-12,21H,13-18H2,1-3H3,(H,24,25)
InChIKeyDPRCZWHBFJGPMW-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111282469
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111218023
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111287088
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111310040
3-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111282635
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111216037
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111281256
3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111282531
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111312593
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111881096
1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine
CID 111273791
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111281134

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine (CID 111282649) is 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine is C/N=C(\NCC(c1ccccc1)N1CCOCC1)N(C)Cc1ccccc1OC.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The InChIKey is DPRCZWHBFJGPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-24-23(26(2)18-20-11-7-8-12-22(20)28-3)25-17-21(19-9-5-4-6-10-19)27-13-15-29-16-14-27/h4-12,21H,13-18H2,1-3H3,(H,24,25).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine has a molecular weight of 396.54 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine is sourced from PubChem (CID 111282649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).