1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine

C16H27N3O — CID 111236665

IUPAC1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccccc1)NC(C)COC
InChIInChI=1S/C16H27N3O/c1-5-17-16(19-14(3)12-20-4)18-11-13(2)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyXSEJUDLPUYSXHZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.38
Rot. Bonds7

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine

1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine (PubChem CID 111236665) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
PubChem CID111236665
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccccc1)NC(C)COC
InChIInChI=1S/C16H27N3O/c1-5-17-16(19-14(3)12-20-4)18-11-13(2)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyXSEJUDLPUYSXHZ-UHFFFAOYSA-N
XLogP2.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111236550
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-phenylpropyl)guanidine
CID 111237435
2-[2-(2-bromophenoxy)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111968629
2-(3-anilinopropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236951
1-ethyl-2-[3-(4-methoxyphenyl)butyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111773924
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
CID 111652056
1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342800
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111513098
1-ethyl-3-(1-methoxypropan-2-yl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111237987
1-ethyl-3-(1-methoxypropan-2-yl)-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111237663

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine (CID 111236665) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine is CCN/C(=N\CC(C)c1ccccc1)NC(C)COC.
What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine?
The InChIKey is XSEJUDLPUYSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-17-16(19-14(3)12-20-4)18-11-13(2)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine?
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine has a molecular weight of 277.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine is sourced from PubChem (CID 111236665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).