2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine

C15H21Cl2N3O — CID 111965551

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(Cl)cc1Cl)NCC1(CO)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-18-14(20-9-15(10-21)5-6-15)19-8-11-3-4-12(16)7-13(11)17/h3-4,7,21H,2,5-6,8-10H2,1H3,(H2,18,19,20)
InChIKeyIIQKGIBFQICPPR-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.82
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine

2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine (PubChem CID 111965551) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
PubChem CID111965551
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(Cl)cc1Cl)NCC1(CO)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-18-14(20-9-15(10-21)5-6-15)19-8-11-3-4-12(16)7-13(11)17/h3-4,7,21H,2,5-6,8-10H2,1H3,(H2,18,19,20)
InChIKeyIIQKGIBFQICPPR-UHFFFAOYSA-N
XLogP2.82
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine 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-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[(3-hydroxythiolan-3-yl)methyl]guanidine
CID 111908241
2-[(2,4-dichlorophenyl)methyl]-1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-ethylguanidine
CID 111782195
1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111965631
2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111198375
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111198270
N-[2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111197929
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969467
2-[(4-bromo-2-chlorophenyl)methyl]-1,3-diethylguanidine
CID 110926151
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965367
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine;hydroiodide
CID 111967078
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111197712

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine (CID 111965551) is 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine is CCN/C(=N\Cc1ccc(Cl)cc1Cl)NCC1(CO)CC1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The InChIKey is IIQKGIBFQICPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-18-14(20-9-15(10-21)5-6-15)19-8-11-3-4-12(16)7-13(11)17/h3-4,7,21H,2,5-6,8-10H2,1H3,(H2,18,19,20).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine has a molecular weight of 330.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 111965551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).