1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide

C18H25IN4 — CID 111037435

IUPAC1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
SMILESCN(CCN/C(N)=N/CCc1ccccc1)c1ccccc1.I
InChIInChI=1S/C18H24N4.HI/c1-22(17-10-6-3-7-11-17)15-14-21-18(19)20-13-12-16-8-4-2-5-9-16;/h2-11H,12-15H2,1H3,(H3,19,20,21);1H
InChIKeyGBXRRLUMVAZBJQ-UHFFFAOYSA-N
MW424.33 g/mol
LogP2.89
Rot. Bonds7

About 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide

1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111037435) has the molecular formula C18H25IN4 and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111037435
Molecular FormulaC18H25IN4
Molecular Weight424.33 g/mol
Exact Mass424.11
IUPAC Name1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
SMILESCN(CCN/C(N)=N/CCc1ccccc1)c1ccccc1.I
InChIInChI=1S/C18H24N4.HI/c1-22(17-10-6-3-7-11-17)15-14-21-18(19)20-13-12-16-8-4-2-5-9-16;/h2-11H,12-15H2,1H3,(H3,19,20,21);1H
InChIKeyGBXRRLUMVAZBJQ-UHFFFAOYSA-N
XLogP2.89
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 52.89
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-1-[2-(N-methylanilino)ethyl]guanidine
CID 111037444
1,2-bis(2-phenylethyl)guanidine
CID 111022877
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111029925
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(N-methylanilino)butyl]guanidine;hydroiodide
CID 111078594
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111028419
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
2-[3-(2-fluoro-N-methylanilino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111077592
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide (CID 111037435) is 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide is CN(CCN/C(N)=N/CCc1ccccc1)c1ccccc1.I.
What is the InChIKey of 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is GBXRRLUMVAZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.HI/c1-22(17-10-6-3-7-11-17)15-14-21-18(19)20-13-12-16-8-4-2-5-9-16;/h2-11H,12-15H2,1H3,(H3,19,20,21);1H.
What are the key properties of 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 424.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111037435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).