2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine

C11H14ClN3 — CID 62364373

IUPAC2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
SMILESN/C(=N\Cc1ccccc1Cl)NC1CC1
InChIInChI=1S/C11H14ClN3/c12-10-4-2-1-3-8(10)7-14-11(13)15-9-5-6-9/h1-4,9H,5-7H2,(H3,13,14,15)
InChIKeyDTFBVENWHRKCCQ-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.91
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine

2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine (PubChem CID 62364373) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
PubChem CID62364373
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
SMILESN/C(=N\Cc1ccccc1Cl)NC1CC1
InChIInChI=1S/C11H14ClN3/c12-10-4-2-1-3-8(10)7-14-11(13)15-9-5-6-9/h1-4,9H,5-7H2,(H3,13,14,15)
InChIKeyDTFBVENWHRKCCQ-UHFFFAOYSA-N
XLogP1.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.91
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

1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-cyclopropyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110914065
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
2-[(3-bromo-2-chlorophenyl)methyl]-1-cyclobutylguanidine
CID 122099046
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
1-cyclopropyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110914906
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
1-cyclopropyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110028746
1-cyclopentyl-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 119146547
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylguanidine
CID 62532592
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine (CID 62364373) is 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine is N/C(=N\Cc1ccccc1Cl)NC1CC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine?
The InChIKey is DTFBVENWHRKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-10-4-2-1-3-8(10)7-14-11(13)15-9-5-6-9/h1-4,9H,5-7H2,(H3,13,14,15).
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine?
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine has a molecular weight of 223.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine is sourced from PubChem (CID 62364373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).