1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine

C9H13ClN4 — CID 64869068

IUPAC1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
SMILESCC(/N=C(\N)NN)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN4/c1-6(13-9(11)14-12)7-2-4-8(10)5-3-7/h2-6H,12H2,1H3,(H3,11,13,14)
InChIKeyWUFFJGHILKMOTA-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.18
Rot. Bonds2

About 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine

1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine (PubChem CID 64869068) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
PubChem CID64869068
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
SMILESCC(/N=C(\N)NN)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN4/c1-6(13-9(11)14-12)7-2-4-8(10)5-3-7/h2-6H,12H2,1H3,(H3,11,13,14)
InChIKeyWUFFJGHILKMOTA-UHFFFAOYSA-N
XLogP1.18
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
CID 64869015
1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine
CID 62483522
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
1-tert-butyl-2-[1-(3-chlorophenyl)ethyl]guanidine
CID 62363103
1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
CID 62362636
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
1-(4-chlorophenyl)ethylazanium
CID 18541873
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine (CID 64869068) is 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine is CC(/N=C(\N)NN)c1ccc(Cl)cc1.
What is the InChIKey of 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine?
The InChIKey is WUFFJGHILKMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-6(13-9(11)14-12)7-2-4-8(10)5-3-7/h2-6H,12H2,1H3,(H3,11,13,14).
What are the key properties of 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine?
1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine has a molecular weight of 212.68 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine is sourced from PubChem (CID 64869068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).