1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine

C16H18ClN3 — CID 174313948

IUPAC1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3/c1-19-16(18)20(2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h3-11,15H,1-2H3,(H2,18,19)
InChIKeyXLAIDQUOBVVCJW-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.31
Rot. Bonds3

About 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine

1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine (PubChem CID 174313948) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine
PubChem CID174313948
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3/c1-19-16(18)20(2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h3-11,15H,1-2H3,(H2,18,19)
InChIKeyXLAIDQUOBVVCJW-UHFFFAOYSA-N
XLogP3.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine?
The IUPAC name of 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine (CID 174313948) is 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine is C/N=C(\N)N(C)C(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine?
The InChIKey is XLAIDQUOBVVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-19-16(18)20(2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h3-11,15H,1-2H3,(H2,18,19).
What are the key properties of 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine?
1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine has a molecular weight of 287.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine is sourced from PubChem (CID 174313948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).