2-(4-methyl-3-morpholin-4-ylphenyl)guanidine

C12H18N4O — CID 68937461

IUPAC2-(4-methyl-3-morpholin-4-ylphenyl)guanidine
SMILESCc1ccc(N=C(N)N)cc1N1CCOCC1
InChIInChI=1S/C12H18N4O/c1-9-2-3-10(15-12(13)14)8-11(9)16-4-6-17-7-5-16/h2-3,8H,4-7H2,1H3,(H4,13,14,15)
InChIKeyKVYVGOKRQRECNI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.74
Rot. Bonds2

About 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine

2-(4-methyl-3-morpholin-4-ylphenyl)guanidine (PubChem CID 68937461) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-3-morpholin-4-ylphenyl)guanidine
PubChem CID68937461
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(4-methyl-3-morpholin-4-ylphenyl)guanidine
SMILESCc1ccc(N=C(N)N)cc1N1CCOCC1
InChIInChI=1S/C12H18N4O/c1-9-2-3-10(15-12(13)14)8-11(9)16-4-6-17-7-5-16/h2-3,8H,4-7H2,1H3,(H4,13,14,15)
InChIKeyKVYVGOKRQRECNI-UHFFFAOYSA-N
XLogP0.74
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine?
The IUPAC name of 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine (CID 68937461) is 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine.
What is the SMILES notation for 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine?
The canonical SMILES for 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine is Cc1ccc(N=C(N)N)cc1N1CCOCC1.
What is the InChIKey of 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine?
The InChIKey is KVYVGOKRQRECNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-2-3-10(15-12(13)14)8-11(9)16-4-6-17-7-5-16/h2-3,8H,4-7H2,1H3,(H4,13,14,15).
What are the key properties of 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine?
2-(4-methyl-3-morpholin-4-ylphenyl)guanidine has a molecular weight of 234.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-morpholin-4-ylphenyl)guanidine is sourced from PubChem (CID 68937461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).