(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde

C18H19FN2O3 — CID 146554326

IUPAC(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde
SMILESCc1cccc(F)c1Oc1ccc(CN2CCO[C@H](C=O)C2)cn1
InChIInChI=1S/C18H19FN2O3/c1-13-3-2-4-16(19)18(13)24-17-6-5-14(9-20-17)10-21-7-8-23-15(11-21)12-22/h2-6,9,12,15H,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyXNVDVJVVQZKMBC-HNNXBMFYSA-N
MW330.36 g/mol
LogP2.72
Rot. Bonds5

About (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde

(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde (PubChem CID 146554326) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde
PubChem CID146554326
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde
SMILESCc1cccc(F)c1Oc1ccc(CN2CCO[C@H](C=O)C2)cn1
InChIInChI=1S/C18H19FN2O3/c1-13-3-2-4-16(19)18(13)24-17-6-5-14(9-20-17)10-21-7-8-23-15(11-21)12-22/h2-6,9,12,15H,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyXNVDVJVVQZKMBC-HNNXBMFYSA-N
XLogP2.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
CID 146522960
(2R)-4-[(6-methoxy-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 97045083
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one
CID 157281853
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 127028182
[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]hydrazine
CID 62244989
2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
CID 96542411
(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75367651
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one
CID 166565022
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
CID 125438590

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde?
The IUPAC name of (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde (CID 146554326) is (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde.
What is the SMILES notation for (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde?
The canonical SMILES for (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde is Cc1cccc(F)c1Oc1ccc(CN2CCO[C@H](C=O)C2)cn1.
What is the InChIKey of (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde?
The InChIKey is XNVDVJVVQZKMBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-13-3-2-4-16(19)18(13)24-17-6-5-14(9-20-17)10-21-7-8-23-15(11-21)12-22/h2-6,9,12,15H,7-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde?
(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde has a molecular weight of 330.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde is sourced from PubChem (CID 146554326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).