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

C12H16ClN3 — CID 62362251

IUPAC1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
SMILESCC(N/C(N)=N/C1CC1)c1ccccc1Cl
InChIInChI=1S/C12H16ClN3/c1-8(10-4-2-3-5-11(10)13)15-12(14)16-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H3,14,15,16)
InChIKeyRVUJGFWIPHOACC-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.47
Rot. Bonds3

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

1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine (PubChem CID 62362251) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
PubChem CID62362251
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
SMILESCC(N/C(N)=N/C1CC1)c1ccccc1Cl
InChIInChI=1S/C12H16ClN3/c1-8(10-4-2-3-5-11(10)13)15-12(14)16-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H3,14,15,16)
InChIKeyRVUJGFWIPHOACC-UHFFFAOYSA-N
XLogP2.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.47
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'}

Analyze 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
CID 62362254
bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea
CID 174302962
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 81378149
1-(benzenesulfonyl)-N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 46437870
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine (CID 62362251) is 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine is CC(N/C(N)=N/C1CC1)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine?
The InChIKey is RVUJGFWIPHOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(10-4-2-3-5-11(10)13)15-12(14)16-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H3,14,15,16).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine?
1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine has a molecular weight of 237.73 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine is sourced from PubChem (CID 62362251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).