2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine

C19H32N4O2 — CID 111074543

IUPAC2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)COc1ccccc1C/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C19H32N4O2/c1-16(2)15-25-18-7-4-3-6-17(18)14-22-19(20)21-8-5-9-23-10-12-24-13-11-23/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,20,21,22)
InChIKeyDQSSSFPQRRBVEI-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.85
Rot. Bonds9

About 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine

2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111074543) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111074543
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)COc1ccccc1C/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C19H32N4O2/c1-16(2)15-25-18-7-4-3-6-17(18)14-22-19(20)21-8-5-9-23-10-12-24-13-11-23/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,20,21,22)
InChIKeyDQSSSFPQRRBVEI-UHFFFAOYSA-N
XLogP1.85
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084097
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
1-(3-ethoxypropyl)-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111074541
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111039747
1-(3-morpholin-4-ylpropyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050553
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111098935
1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 111074475
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 110973055
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111806293
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111577506
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111077966
1-ethyl-2-[[2-(3-methylbutoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111188175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111074543) is 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine is CC(C)COc1ccccc1C/N=C(\N)NCCCN1CCOCC1.
What is the InChIKey of 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is DQSSSFPQRRBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-16(2)15-25-18-7-4-3-6-17(18)14-22-19(20)21-8-5-9-23-10-12-24-13-11-23/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 348.49 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111074543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).