2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine

C19H32ClN5O — CID 111755235

IUPAC2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(c1ccc(Cl)cc1)N(C)C)NCCN1CCOCC1
InChIInChI=1S/C19H32ClN5O/c1-4-21-19(22-9-10-25-11-13-26-14-12-25)23-15-18(24(2)3)16-5-7-17(20)8-6-16/h5-8,18H,4,9-15H2,1-3H3,(H2,21,22,23)
InChIKeyVSLWRQSCXKXMBK-UHFFFAOYSA-N
MW381.95 g/mol
LogP1.83
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine

2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111755235) has the molecular formula C19H32ClN5O and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111755235
Molecular FormulaC19H32ClN5O
Molecular Weight381.95 g/mol
Exact Mass381.23
IUPAC Name2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(c1ccc(Cl)cc1)N(C)C)NCCN1CCOCC1
InChIInChI=1S/C19H32ClN5O/c1-4-21-19(22-9-10-25-11-13-26-14-12-25)23-15-18(24(2)3)16-5-7-17(20)8-6-16/h5-8,18H,4,9-15H2,1-3H3,(H2,21,22,23)
InChIKeyVSLWRQSCXKXMBK-UHFFFAOYSA-N
XLogP1.83
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 51.83
H-Bond Donors ≤ 52
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

2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111511915
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188054
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972491
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
2-[(3-chloro-4-fluorophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187317
2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111999842
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972244
2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187880
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972667
2-(2,2-diphenylethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111357126
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110980663
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine (CID 111755235) is 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\CC(c1ccc(Cl)cc1)N(C)C)NCCN1CCOCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is VSLWRQSCXKXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN5O/c1-4-21-19(22-9-10-25-11-13-26-14-12-25)23-15-18(24(2)3)16-5-7-17(20)8-6-16/h5-8,18H,4,9-15H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 381.95 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111755235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).