1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide

C19H24IN3 — CID 111810551

IUPAC1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1.I
InChIInChI=1S/C19H23N3.HI/c1-2-14-7-6-10-17(11-14)22-19(20)21-13-16-12-18(16)15-8-4-3-5-9-15;/h3-11,16,18H,2,12-13H2,1H3,(H3,20,21,22);1H
InChIKeyPLLNBCYVZPEFJB-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide

1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111810551) has the molecular formula C19H24IN3 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111810551
Molecular FormulaC19H24IN3
Molecular Weight421.33 g/mol
Exact Mass421.10
IUPAC Name1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1.I
InChIInChI=1S/C19H23N3.HI/c1-2-14-7-6-10-17(11-14)22-19(20)21-13-16-12-18(16)15-8-4-3-5-9-15;/h3-11,16,18H,2,12-13H2,1H3,(H3,20,21,22);1H
InChIKeyPLLNBCYVZPEFJB-UHFFFAOYSA-N
XLogP4.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.40
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

1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810616
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide
CID 111810605
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038829
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
1-(3-ethylphenyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077526
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111034476
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
1-(3-ethylphenyl)-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111801667
1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide (CID 111810551) is 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide is CCc1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1.I.
What is the InChIKey of 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is PLLNBCYVZPEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.HI/c1-2-14-7-6-10-17(11-14)22-19(20)21-13-16-12-18(16)15-8-4-3-5-9-15;/h3-11,16,18H,2,12-13H2,1H3,(H3,20,21,22);1H.
What are the key properties of 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 421.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111810551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).