2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine

C16H26N4O — CID 111134903

IUPAC2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCc1ccccc1)NCC1CN(C)CCO1
InChIInChI=1S/C16H26N4O/c1-17-16(18-9-8-14-6-4-3-5-7-14)19-12-15-13-20(2)10-11-21-15/h3-7,15H,8-13H2,1-2H3,(H2,17,18,19)
InChIKeyPAHIURFOUYXQNT-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.72
Rot. Bonds5

About 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine

2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine (PubChem CID 111134903) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine
PubChem CID111134903
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCc1ccccc1)NCC1CN(C)CCO1
InChIInChI=1S/C16H26N4O/c1-17-16(18-9-8-14-6-4-3-5-7-14)19-12-15-13-20(2)10-11-21-15/h3-7,15H,8-13H2,1-2H3,(H2,17,18,19)
InChIKeyPAHIURFOUYXQNT-UHFFFAOYSA-N
XLogP0.72
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111230709
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172057
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylsulfanylethyl)guanidine
CID 111372583
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3-phenoxypropyl)guanidine
CID 111417555
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111209646
1-(3-indol-1-ylpropyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111341188
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111845377
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933198
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
1-(furan-2-ylmethyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 110934822
4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide
CID 110959927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine?
The IUPAC name of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine (CID 111134903) is 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine is C/N=C(\NCCc1ccccc1)NCC1CN(C)CCO1.
What is the InChIKey of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine?
The InChIKey is PAHIURFOUYXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-16(18-9-8-14-6-4-3-5-7-14)19-12-15-13-20(2)10-11-21-15/h3-7,15H,8-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine?
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine has a molecular weight of 290.41 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111134903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).