1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

C22H33IN4 — CID 110949905

IUPAC1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1CN/C(=N/C)NC(C)c1ccccc1.I
InChIInChI=1S/C22H32N4.HI/c1-5-26(6-2)17-21-15-11-10-14-20(21)16-24-22(23-4)25-18(3)19-12-8-7-9-13-19;/h7-15,18H,5-6,16-17H2,1-4H3,(H2,23,24,25);1H
InChIKeyODYTZMOAFCTZSE-UHFFFAOYSA-N
MW480.44 g/mol
LogP4.57
Rot. Bonds8

About 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110949905) has the molecular formula C22H33IN4 and a molecular weight of 480.44 g/mol. Its IUPAC name is 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110949905
Molecular FormulaC22H33IN4
Molecular Weight480.44 g/mol
Exact Mass480.17
IUPAC Name1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1CN/C(=N/C)NC(C)c1ccccc1.I
InChIInChI=1S/C22H32N4.HI/c1-5-26(6-2)17-21-15-11-10-14-20(21)16-24-22(23-4)25-18(3)19-12-8-7-9-13-19;/h7-15,18H,5-6,16-17H2,1-4H3,(H2,23,24,25);1H
InChIKeyODYTZMOAFCTZSE-UHFFFAOYSA-N
XLogP4.57
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 54.57
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

1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999819
2-methyl-1-(1-phenylethyl)-3-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 110949964
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227870
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-methyl-1-(1-phenylethyl)-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111982744
1-butyl-3-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylguanidine
CID 111152100
2-methyl-1-(1-phenylethyl)-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111982745
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110948236
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545893
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111938865

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110949905) is 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is CCN(CC)Cc1ccccc1CN/C(=N/C)NC(C)c1ccccc1.I.
What is the InChIKey of 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is ODYTZMOAFCTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4.HI/c1-5-26(6-2)17-21-15-11-10-14-20(21)16-24-22(23-4)25-18(3)19-12-8-7-9-13-19;/h7-15,18H,5-6,16-17H2,1-4H3,(H2,23,24,25);1H.
What are the key properties of 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 480.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110949905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).