2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine

C20H26ClN3O — CID 119114926

IUPAC2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC1(C)CN(C(CNCc2ccncc2)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C20H26ClN3O/c1-20(2)15-24(11-12-25-20)19(17-3-5-18(21)6-4-17)14-23-13-16-7-9-22-10-8-16/h3-10,19,23H,11-15H2,1-2H3
InChIKeyIVGZETOBCMNHCZ-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine

2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 119114926) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID119114926
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC1(C)CN(C(CNCc2ccncc2)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C20H26ClN3O/c1-20(2)15-24(11-12-25-20)19(17-3-5-18(21)6-4-17)14-23-13-16-7-9-22-10-8-16/h3-10,19,23H,11-15H2,1-2H3
InChIKeyIVGZETOBCMNHCZ-UHFFFAOYSA-N
XLogP3.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 124699693
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133287599
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119876547
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876545
4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287608
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136859919
1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936796
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
CID 110936795
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 126769820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 119114926) is 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine is CC1(C)CN(C(CNCc2ccncc2)c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is IVGZETOBCMNHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-20(2)15-24(11-12-25-20)19(17-3-5-18(21)6-4-17)14-23-13-16-7-9-22-10-8-16/h3-10,19,23H,11-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine?
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 359.90 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 119114926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).