1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide

C17H21ClIN3 — CID 111031333

IUPAC1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3.HI/c18-16-8-4-7-15(13-16)10-12-21-17(19)20-11-9-14-5-2-1-3-6-14;/h1-8,13H,9-12H2,(H3,19,20,21);1H
InChIKeyOVXGJWXNSNQPLX-UHFFFAOYSA-N
MW429.73 g/mol
LogP3.65
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide

1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111031333) has the molecular formula C17H21ClIN3 and a molecular weight of 429.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111031333
Molecular FormulaC17H21ClIN3
Molecular Weight429.73 g/mol
Exact Mass429.05
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3.HI/c18-16-8-4-7-15(13-16)10-12-21-17(19)20-11-9-14-5-2-1-3-6-14;/h1-8,13H,9-12H2,(H3,19,20,21);1H
InChIKeyOVXGJWXNSNQPLX-UHFFFAOYSA-N
XLogP3.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.73
LogP ≤ 53.65
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

1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
CID 111031390
1-[2-(4-chlorophenoxy)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111032317
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111818113
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111098630
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111081118
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111096788
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111028419
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide (CID 111031333) is 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide is I.N/C(=N\CCc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is OVXGJWXNSNQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3.HI/c18-16-8-4-7-15(13-16)10-12-21-17(19)20-11-9-14-5-2-1-3-6-14;/h1-8,13H,9-12H2,(H3,19,20,21);1H.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide?
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 429.73 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111031333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).