2-[(2,4-dichlorophenyl)methyl]guanidine

C8H9Cl2N3 — CID 19799

IUPAC2-[(2,4-dichlorophenyl)methyl]guanidine
SMILESNC(N)=NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13)
InChIKeyMIZQCZHCPNSFBI-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.77
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]guanidine

2-[(2,4-dichlorophenyl)methyl]guanidine (PubChem CID 19799) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]guanidine
PubChem CID19799
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name2-[(2,4-dichlorophenyl)methyl]guanidine
SMILESNC(N)=NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13)
InChIKeyMIZQCZHCPNSFBI-UHFFFAOYSA-N
XLogP1.77
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.77
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

2,4-Dichlorophenethylamine
CID 142938
Benzenemethanamine, 2,6-dichloro-
CID 485432
2,4-Dichlorobenzylamine
CID 1485
1-(2,4-Dichlorophenyl)Ethylamine
CID 2771858
(E)-N'-[(2-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9900121
Guanidine, (m-chlorobenzyl)-
CID 41357
Benzenemethanamine, 2,4-dichloro-N-methyl-
CID 485424
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
N-[2-(4-Chloro-phenyl)-ethyl]-guanidine
CID 4203196
(E)-N'-benzyl-3-(2-chlorophenyl)prop-2-enimidamide
CID 9814060
(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-dichlorophenyl)methyl]guanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]guanidine (CID 19799) is 2-[(2,4-dichlorophenyl)methyl]guanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]guanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]guanidine is NC(N)=NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]guanidine?
The InChIKey is MIZQCZHCPNSFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]guanidine?
2-[(2,4-dichlorophenyl)methyl]guanidine has a molecular weight of 218.09 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]guanidine is sourced from PubChem (CID 19799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).