1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine

C10H15ClN4 — CID 174382226

IUPAC1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)c1cc(CN)ccc1Cl
InChIInChI=1S/C10H15ClN4/c1-14-10(13)15(2)9-5-7(6-12)3-4-8(9)11/h3-5H,6,12H2,1-2H3,(H2,13,14)
InChIKeyYKXFWPHQGFZRSW-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.18
Rot. Bonds2

About 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine

1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine (PubChem CID 174382226) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine
PubChem CID174382226
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)c1cc(CN)ccc1Cl
InChIInChI=1S/C10H15ClN4/c1-14-10(13)15(2)9-5-7(6-12)3-4-8(9)11/h3-5H,6,12H2,1-2H3,(H2,13,14)
InChIKeyYKXFWPHQGFZRSW-UHFFFAOYSA-N
XLogP1.18
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.18
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine?
The IUPAC name of 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine (CID 174382226) is 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine is C/N=C(\N)N(C)c1cc(CN)ccc1Cl.
What is the InChIKey of 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine?
The InChIKey is YKXFWPHQGFZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-14-10(13)15(2)9-5-7(6-12)3-4-8(9)11/h3-5H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine?
1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine has a molecular weight of 226.71 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-chlorophenyl]-1,2-dimethylguanidine is sourced from PubChem (CID 174382226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).