2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide

C18H24IN3 — CID 111802723

IUPAC2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCCc1ccc(CC/N=C(\N)Nc2ccc(C)cc2)cc1.I
InChIInChI=1S/C18H23N3.HI/c1-3-15-6-8-16(9-7-15)12-13-20-18(19)21-17-10-4-14(2)5-11-17;/h4-11H,3,12-13H2,1-2H3,(H3,19,20,21);1H
InChIKeyFUFIAZDECYNTDW-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.14
Rot. Bonds5

About 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide

2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide (PubChem CID 111802723) has the molecular formula C18H24IN3 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
PubChem CID111802723
Molecular FormulaC18H24IN3
Molecular Weight409.32 g/mol
Exact Mass409.10
IUPAC Name2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCCc1ccc(CC/N=C(\N)Nc2ccc(C)cc2)cc1.I
InChIInChI=1S/C18H23N3.HI/c1-3-15-6-8-16(9-7-15)12-13-20-18(19)21-17-10-4-14(2)5-11-17;/h4-11H,3,12-13H2,1-2H3,(H3,19,20,21);1H
InChIKeyFUFIAZDECYNTDW-UHFFFAOYSA-N
XLogP4.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
CID 111089141
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069790
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066872
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066873
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 111031068
1-(4-ethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111091208
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111811277
2-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111024765

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide (CID 111802723) is 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide is CCc1ccc(CC/N=C(\N)Nc2ccc(C)cc2)cc1.I.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The InChIKey is FUFIAZDECYNTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.HI/c1-3-15-6-8-16(9-7-15)12-13-20-18(19)21-17-10-4-14(2)5-11-17;/h4-11H,3,12-13H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide has a molecular weight of 409.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111802723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).