2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine

C11H16ClN3 — CID 111031390

IUPAC2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3/c1-2-14-11(13)15-7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H3,13,14,15)
InChIKeyAGQZFIBAMFRDNV-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.81
Rot. Bonds4

About 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine

2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine (PubChem CID 111031390) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
PubChem CID111031390
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3/c1-2-14-11(13)15-7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H3,13,14,15)
InChIKeyAGQZFIBAMFRDNV-UHFFFAOYSA-N
XLogP1.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.81
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-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
1-tert-butyl-2-[2-(3-chlorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110966543
2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
CID 62616143
2-[2-(3,4-diethoxyphenyl)ethyl]-1-ethylguanidine
CID 111026082
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethylguanidine
CID 62363493
2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111358554
2-(3-chlorophenyl)ethylurea
CID 127513466
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
1-ethyl-2-[3-(4-propan-2-ylphenyl)propyl]guanidine;hydroiodide
CID 111549226
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine (CID 111031390) is 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine is CCN/C(N)=N/CCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine?
The InChIKey is AGQZFIBAMFRDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-2-14-11(13)15-7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H3,13,14,15).
What are the key properties of 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine?
2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine has a molecular weight of 225.72 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine is sourced from PubChem (CID 111031390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).