1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine

C15H15Cl2N3O — CID 111024246

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-21-14-6-5-12(8-13(14)17)20-15(18)19-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H3,18,19,20)
InChIKeyBTNIBARZLRXKHD-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine

1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine (PubChem CID 111024246) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine
PubChem CID111024246
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-21-14-6-5-12(8-13(14)17)20-15(18)19-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H3,18,19,20)
InChIKeyBTNIBARZLRXKHD-UHFFFAOYSA-N
XLogP3.93
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine 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-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl]guanidine
CID 111046308
1-(3-chloro-4-methoxyphenyl)-2-[[3-(dimethylamino)phenyl]methyl]guanidine
CID 111045650
1-(3-chloro-4-methoxyphenyl)-2-[(3-methoxy-4-methylphenyl)methyl]guanidine
CID 111079151
1-(3-chloro-4-methoxyphenyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111048091
1-(3-chloro-4-methoxyphenyl)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111048008
1-(3-chloro-4-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
CID 111804265
1-(3-chloro-4-methoxyphenyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816782
1-(3-chloro-4-methoxyphenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]guanidine;hydroiodide
CID 111051787
1-(3-chloro-4-methoxyphenyl)-2-(2-phenylethyl)guanidine
CID 111022915
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243
methyl N-[4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 111066322
methyl 4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024056

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine (CID 111024246) is 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine?
The InChIKey is BTNIBARZLRXKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-21-14-6-5-12(8-13(14)17)20-15(18)19-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H3,18,19,20).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine?
1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine has a molecular weight of 324.21 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine is sourced from PubChem (CID 111024246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).