2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine

C15H15Cl2N3 — CID 62363836

IUPAC2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
SMILESCC(/N=C(\N)Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c1-10(13-8-7-11(16)9-14(13)17)19-15(18)20-12-5-3-2-4-6-12/h2-10H,1H3,(H3,18,19,20)
InChIKeyWYMCQHLYUYUTFZ-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.48
Rot. Bonds3

About 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine

2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine (PubChem CID 62363836) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
PubChem CID62363836
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
SMILESCC(/N=C(\N)Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c1-10(13-8-7-11(16)9-14(13)17)19-15(18)20-12-5-3-2-4-6-12/h2-10H,1H3,(H3,18,19,20)
InChIKeyWYMCQHLYUYUTFZ-UHFFFAOYSA-N
XLogP4.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.48
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'}

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Related Compounds

1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
CID 64869015
2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 110884485
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058274
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2-phenylphenyl)methanimine
CID 22483294
2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092
1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine (CID 62363836) is 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine is CC(/N=C(\N)Nc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine?
The InChIKey is WYMCQHLYUYUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-10(13-8-7-11(16)9-14(13)17)19-15(18)20-12-5-3-2-4-6-12/h2-10H,1H3,(H3,18,19,20).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine?
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine has a molecular weight of 308.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 62363836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).