2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine

C17H26Cl2N4O2 — CID 109492313

IUPAC2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC(O)c1cc(Cl)cc(Cl)c1)NCC1CN(C)CCO1
InChIInChI=1S/C17H26Cl2N4O2/c1-3-20-17(21-9-15-11-23(2)4-5-25-15)22-10-16(24)12-6-13(18)8-14(19)7-12/h6-8,15-16,24H,3-5,9-11H2,1-2H3,(H2,20,21,22)
InChIKeyFSAVXJRNJNHDBL-UHFFFAOYSA-N
MW389.33 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine

2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 109492313) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID109492313
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC(O)c1cc(Cl)cc(Cl)c1)NCC1CN(C)CCO1
InChIInChI=1S/C17H26Cl2N4O2/c1-3-20-17(21-9-15-11-23(2)4-5-25-15)22-10-16(24)12-6-13(18)8-14(19)7-12/h6-8,15-16,24H,3-5,9-11H2,1-2H3,(H2,20,21,22)
InChIKeyFSAVXJRNJNHDBL-UHFFFAOYSA-N
XLogP1.91
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111181186
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111680557
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111715276
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109492802
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111931790
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111303684
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 109492515
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111607382
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethylguanidine;hydroiodide
CID 109492560
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 119142199
1-ethyl-3-(3-methylbutyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110978053
1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111858074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 109492313) is 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine is CCN/C(=N\CC(O)c1cc(Cl)cc(Cl)c1)NCC1CN(C)CCO1.
What is the InChIKey of 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is FSAVXJRNJNHDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N4O2/c1-3-20-17(21-9-15-11-23(2)4-5-25-15)22-10-16(24)12-6-13(18)8-14(19)7-12/h6-8,15-16,24H,3-5,9-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 389.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 109492313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).