2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine

C11H14ClN3 — CID 62407807

IUPAC2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine
SMILESN/C(=N\Cc1cccc(Cl)c1)NC1CC1
InChIInChI=1S/C11H14ClN3/c12-9-3-1-2-8(6-9)7-14-11(13)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H3,13,14,15)
InChIKeyPIKUKQRWMZDOKP-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.91
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine

2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine (PubChem CID 62407807) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine
PubChem CID62407807
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine
SMILESN/C(=N\Cc1cccc(Cl)c1)NC1CC1
InChIInChI=1S/C11H14ClN3/c12-9-3-1-2-8(6-9)7-14-11(13)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H3,13,14,15)
InChIKeyPIKUKQRWMZDOKP-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

Guanidine, (m-chlorobenzyl)-
CID 41357
5-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 44371599
2-[(3-Chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 83034883
4-(2-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371633
Guanidine, 2-(o-chlorobenzyl)-1-methyl-
CID 19797
N-((2-Chlorophenyl)methyl)-N',N''-dimethylguanidine
CID 6313
[[(4-Chlorophenyl)methylamino]-[cyclohexyl(propan-2-yl)amino]methylidene]-dimethylazanium
CID 24778068
5-(3-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371829
1-[(Z)-5-(3-chlorophenyl)pent-4-enyl]-3-cyano-2-methylguanidine
CID 177647486
1-[4-(3-Chlorophenyl)butyl]-3-cyano-2-methylguanidine
CID 177649834
1-[(E)-5-(3-chlorophenyl)pent-4-enyl]-3-cyano-2-methylguanidine
CID 177653768
1-[5-(3-Chlorophenyl)pentyl]-3-cyano-2-methylguanidine
CID 177656118

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine (CID 62407807) is 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine is N/C(=N\Cc1cccc(Cl)c1)NC1CC1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine?
The InChIKey is PIKUKQRWMZDOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-9-3-1-2-8(6-9)7-14-11(13)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H3,13,14,15).
What are the key properties of 2-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine?
2-[(3-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-[(3-chlorophenyl)methyl]-1-cyclopropylguanidine is sourced from PubChem (CID 62407807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).