1-(2,4-dichlorophenyl)-2-propylguanidine

C10H13Cl2N3 — CID 62380712

IUPAC1-(2,4-dichlorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3/c1-2-5-14-10(13)15-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H3,13,14,15)
InChIKeySSPSDRSMDOHAGZ-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-propylguanidine

1-(2,4-dichlorophenyl)-2-propylguanidine (PubChem CID 62380712) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-propylguanidine
PubChem CID62380712
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name1-(2,4-dichlorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3/c1-2-5-14-10(13)15-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H3,13,14,15)
InChIKeySSPSDRSMDOHAGZ-UHFFFAOYSA-N
XLogP3.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.13
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'}

Analyze 1-(2,4-dichlorophenyl)-2-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-2-propylguanidine
CID 62379615
N-[2-[[amino-(2,4-dichloroanilino)methylidene]amino]ethyl]acetamide
CID 134113157
1-(2-chloro-5-methoxyphenyl)-2-propylguanidine
CID 62379099
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
1-(4-methoxy-2-methylphenyl)-2-propylguanidine
CID 62871923
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
CID 107605066
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
1-[2-(4-chlorophenyl)ethyl]-2-propylguanidine
CID 62362687
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-propylguanidine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-propylguanidine (CID 62380712) is 1-(2,4-dichlorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-propylguanidine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-propylguanidine?
The InChIKey is SSPSDRSMDOHAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-2-5-14-10(13)15-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H3,13,14,15).
What are the key properties of 1-(2,4-dichlorophenyl)-2-propylguanidine?
1-(2,4-dichlorophenyl)-2-propylguanidine has a molecular weight of 246.14 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-propylguanidine is sourced from PubChem (CID 62380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).