2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine

C16H26N4O — CID 111022923

IUPAC2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O/c1-17-16(18-8-7-15-5-3-2-4-6-15)19-9-10-20-11-13-21-14-12-20/h2-6H,7-14H2,1H3,(H2,17,18,19)
InChIKeyBLSWEONHGIPCKX-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.73
Rot. Bonds6

About 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine

2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine (PubChem CID 111022923) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
PubChem CID111022923
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O/c1-17-16(18-8-7-15-5-3-2-4-6-15)19-9-10-20-11-13-21-14-12-20/h2-6H,7-14H2,1H3,(H2,17,18,19)
InChIKeyBLSWEONHGIPCKX-UHFFFAOYSA-N
XLogP0.73
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.73
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-(3-fluorophenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111035440
methyl 4-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]benzoate
CID 111040659
2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-3-(2-phenylethyl)guanidine
CID 111136045
2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111059502
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134226
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111062892
1-(3-anilinopropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111088199
1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111823554
2-methyl-1-(2-morpholin-4-ylethyl)-3-[(3-phenoxyphenyl)methyl]guanidine
CID 111069368
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029813
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111562794
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine (CID 111022923) is 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine is C/N=C(\NCCc1ccccc1)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine?
The InChIKey is BLSWEONHGIPCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-16(18-8-7-15-5-3-2-4-6-15)19-9-10-20-11-13-21-14-12-20/h2-6H,7-14H2,1H3,(H2,17,18,19).
What are the key properties of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine?
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine has a molecular weight of 290.41 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111022923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).