2-[2-(4-chlorophenyl)ethyl]guanidine

C9H12ClN3 — CID 4203196

IUPAC2-[2-(4-chlorophenyl)ethyl]guanidine
SMILESNC(N)=NCCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKeyDTOKLFDSWKGLOX-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.16
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethyl]guanidine

2-[2-(4-chlorophenyl)ethyl]guanidine (PubChem CID 4203196) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]guanidine
PubChem CID4203196
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-[2-(4-chlorophenyl)ethyl]guanidine
SMILESNC(N)=NCCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKeyDTOKLFDSWKGLOX-UHFFFAOYSA-N
XLogP1.16
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.16
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

Phenformin
CID 8249
Phenformin Hydrochloride
CID 13266
p-Chloroamphetamine
CID 3127
p-Chloroamphetamine hydrochloride
CID 107161
2-(4-Chlorophenyl)ethylamine
CID 67430
2-(4-Chlorophenethyl) isothicyanate
CID 140257
Guanidine, (2,4-dichlorobenzyl)-
CID 19799
Guanidine, (m-chlorobenzyl)-
CID 41357
3-(4-Chlorophenyl)propan-1-amine
CID 6485772
3-Phenylpropylguanidine
CID 3513127
(E)-N'-[(4-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9921582
(E)-N'-benzyl-3-(4-chlorophenyl)prop-2-enimidamide
CID 9921583

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]guanidine (CID 4203196) is 2-[2-(4-chlorophenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]guanidine is NC(N)=NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]guanidine?
The InChIKey is DTOKLFDSWKGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]guanidine?
2-[2-(4-chlorophenyl)ethyl]guanidine has a molecular weight of 197.67 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]guanidine is sourced from PubChem (CID 4203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).