2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride

C8H11Cl2N5 — CID 171369925

IUPAC2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1ccc(N)cc1Cl
InChIInChI=1S/C8H10ClN5.ClH/c9-7-3-6(10)2-1-5(7)4-13-14-8(11)12;/h1-4H,10H2,(H4,11,12,14);1H
InChIKeyWDCXQCKQQMBXFW-UHFFFAOYSA-N
MW248.12 g/mol
LogP0.95
Rot. Bonds2

About 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride

2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 171369925) has the molecular formula C8H11Cl2N5 and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride
PubChem CID171369925
Molecular FormulaC8H11Cl2N5
Molecular Weight248.12 g/mol
Exact Mass247.04
IUPAC Name2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1ccc(N)cc1Cl
InChIInChI=1S/C8H10ClN5.ClH/c9-7-3-6(10)2-1-5(7)4-13-14-8(11)12;/h1-4H,10H2,(H4,11,12,14);1H
InChIKeyWDCXQCKQQMBXFW-UHFFFAOYSA-N
XLogP0.95
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine
CID 15511140
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
2-[(E)-benzylideneamino]guanidine;2-[(E)-(2-chloro-4,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine
CID 172956767
2-[(3,5-dichlorophenyl)methylideneamino]guanidine
CID 66842284
2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
CID 168591000
2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine
CID 10155813
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine
CID 168592512
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine
CID 168592621
2-aminoguanidine;methane;2,3,5-trichlorobenzaldehyde;2-[(E)-(2,3,5-trichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172946653

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride (CID 171369925) is 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=NN=Cc1ccc(N)cc1Cl.
What is the InChIKey of 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is WDCXQCKQQMBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5.ClH/c9-7-3-6(10)2-1-5(7)4-13-14-8(11)12;/h1-4H,10H2,(H4,11,12,14);1H.
What are the key properties of 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 248.12 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 171369925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).