2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine

C15H24ClN3O — CID 111500481

IUPAC2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine
SMILESCCCN/C(=N/CC(OC)c1cccc(Cl)c1)NCC
InChIInChI=1S/C15H24ClN3O/c1-4-9-18-15(17-5-2)19-11-14(20-3)12-7-6-8-13(16)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3,(H2,17,18,19)
InChIKeyNOOLRXMUNYXRDP-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.99
Rot. Bonds7

About 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine

2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine (PubChem CID 111500481) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine
PubChem CID111500481
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine
SMILESCCCN/C(=N/CC(OC)c1cccc(Cl)c1)NCC
InChIInChI=1S/C15H24ClN3O/c1-4-9-18-15(17-5-2)19-11-14(20-3)12-7-6-8-13(16)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3,(H2,17,18,19)
InChIKeyNOOLRXMUNYXRDP-UHFFFAOYSA-N
XLogP2.99
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111691090
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111499983
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-propylguanidine;hydroiodide
CID 111821692
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111499950
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
CID 110973257
2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111501270
1-(3-ethoxypropyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine
CID 111222703
methyl 1-[N'-[2-(3-chlorophenyl)-2-methoxyethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111500609
N'-[2-(3-chlorophenyl)-2-methoxyethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119156434
1-(cyclopropylmethyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111868097
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111224339
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111499932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine (CID 111500481) is 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine is CCCN/C(=N/CC(OC)c1cccc(Cl)c1)NCC.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine?
The InChIKey is NOOLRXMUNYXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-9-18-15(17-5-2)19-11-14(20-3)12-7-6-8-13(16)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine?
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine has a molecular weight of 297.83 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine is sourced from PubChem (CID 111500481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).