[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone

C23H29ClN2O3 — CID 155506511

IUPAC[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCN)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H29ClN2O3/c1-23(2,3)21-15-26(14-20(29-21)16-7-5-4-6-8-16)22(27)18-13-17(24)9-10-19(18)28-12-11-25/h4-10,13,20-21H,11-12,14-15,25H2,1-3H3/t20-,21+/m0/s1
InChIKeyAIEUVKNONDXELU-LEWJYISDSA-N
MW416.95 g/mol
LogP4.31
Rot. Bonds5

About [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone

[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 155506511) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
PubChem CID155506511
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCN)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H29ClN2O3/c1-23(2,3)21-15-26(14-20(29-21)16-7-5-4-6-8-16)22(27)18-13-17(24)9-10-19(18)28-12-11-25/h4-10,13,20-21H,11-12,14-15,25H2,1-3H3/t20-,21+/m0/s1
InChIKeyAIEUVKNONDXELU-LEWJYISDSA-N
XLogP4.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155509589
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(2-aminoethoxy)-5-chlorophenyl]methanone
CID 118783454
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 126444298
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone (CID 155506511) is [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone is CC(C)(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCN)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is AIEUVKNONDXELU-LEWJYISDSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-23(2,3)21-15-26(14-20(29-21)16-7-5-4-6-8-16)22(27)18-13-17(24)9-10-19(18)28-12-11-25/h4-10,13,20-21H,11-12,14-15,25H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 416.95 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 155506511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).