2-[2-(3-methylphenyl)propyl]-1-phenylguanidine

C17H21N3 — CID 111459323

IUPAC2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
SMILESCc1cccc(C(C)C/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C17H21N3/c1-13-7-6-8-15(11-13)14(2)12-19-17(18)20-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H3,18,19,20)
InChIKeyMXUPRWRVNZWIFQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine

2-[2-(3-methylphenyl)propyl]-1-phenylguanidine (PubChem CID 111459323) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
PubChem CID111459323
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
SMILESCc1cccc(C(C)C/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C17H21N3/c1-13-7-6-8-15(11-13)14(2)12-19-17(18)20-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H3,18,19,20)
InChIKeyMXUPRWRVNZWIFQ-UHFFFAOYSA-N
XLogP3.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.53
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'}

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Related Compounds

2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816840
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
2-[2-(3-methylphenoxy)butyl]-1-phenylguanidine;hydroiodide
CID 111800265
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-[(3-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111046293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine (CID 111459323) is 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine is Cc1cccc(C(C)C/N=C(\N)Nc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine?
The InChIKey is MXUPRWRVNZWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-7-6-8-15(11-13)14(2)12-19-17(18)20-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine?
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine has a molecular weight of 267.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)propyl]-1-phenylguanidine is sourced from PubChem (CID 111459323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).