2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine

C14H22ClN3O — CID 75494662

IUPAC2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CC(OC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN3O/c1-4-18(5-2)14(16)17-10-13(19-3)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyFRYQADDPRBXJNX-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine

2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine (PubChem CID 75494662) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine
PubChem CID75494662
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CC(OC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN3O/c1-4-18(5-2)14(16)17-10-13(19-3)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyFRYQADDPRBXJNX-UHFFFAOYSA-N
XLogP2.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
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-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
[1-(4-chlorophenyl)-2-(diaminomethylideneamino)ethyl] acetate
CID 139620384
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
1,1-diethyl-2-[3-(4-methoxyphenyl)butyl]guanidine
CID 111818422
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 67179417
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111098218
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780
1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029763
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine
CID 111814372
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-propylguanidine;hydroiodide
CID 111821692
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine;hydroiodide
CID 111498002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine (CID 75494662) is 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine is CCN(CC)/C(N)=N/CC(OC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine?
The InChIKey is FRYQADDPRBXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-18(5-2)14(16)17-10-13(19-3)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H2,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine?
2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine has a molecular weight of 283.80 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine is sourced from PubChem (CID 75494662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).