2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine

C12H15Cl2N3 — CID 122082463

IUPAC2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3/c1-17(2)12(15)16-11-6-8(11)7-3-4-9(13)10(14)5-7/h3-5,8,11H,6H2,1-2H3,(H2,15,16)/t8-,11+/m0/s1
InChIKeyKWYJIBPEEQVDGP-GZMMTYOYSA-N
MW272.18 g/mol
LogP2.73
Rot. Bonds2

About 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine

2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine (PubChem CID 122082463) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine
PubChem CID122082463
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3/c1-17(2)12(15)16-11-6-8(11)7-3-4-9(13)10(14)5-7/h3-5,8,11H,6H2,1-2H3,(H2,15,16)/t8-,11+/m0/s1
InChIKeyKWYJIBPEEQVDGP-GZMMTYOYSA-N
XLogP2.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine (CID 122082463) is 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine is CN(C)/C(N)=N/[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine?
The InChIKey is KWYJIBPEEQVDGP-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-17(2)12(15)16-11-6-8(11)7-3-4-9(13)10(14)5-7/h3-5,8,11H,6H2,1-2H3,(H2,15,16)/t8-,11+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine?
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine has a molecular weight of 272.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine is sourced from PubChem (CID 122082463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).