4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine

C23H23ClN2O2 — CID 58020299

IUPAC4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
SMILESCOc1ccc(Cc2ccc(N3CCOCC3)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C23H23ClN2O2/c1-27-22-7-5-17(14-21(22)19-3-2-4-20(24)15-19)13-18-6-8-23(25-16-18)26-9-11-28-12-10-26/h2-8,14-16H,9-13H2,1H3
InChIKeyLTOFTTVNOBKVPQ-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.84
Rot. Bonds5

About 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine

4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine (PubChem CID 58020299) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
PubChem CID58020299
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
SMILESCOc1ccc(Cc2ccc(N3CCOCC3)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C23H23ClN2O2/c1-27-22-7-5-17(14-21(22)19-3-2-4-20(24)15-19)13-18-6-8-23(25-16-18)26-9-11-28-12-10-26/h2-8,14-16H,9-13H2,1H3
InChIKeyLTOFTTVNOBKVPQ-UHFFFAOYSA-N
XLogP4.84
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
CID 46213060
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-[(2R)-2-hydroperoxypyrrolidin-1-yl]pyridine
CID 143810453
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane
CID 159916668
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030468

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine (CID 58020299) is 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine is COc1ccc(Cc2ccc(N3CCOCC3)nc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine?
The InChIKey is LTOFTTVNOBKVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-27-22-7-5-17(14-21(22)19-3-2-4-20(24)15-19)13-18-6-8-23(25-16-18)26-9-11-28-12-10-26/h2-8,14-16H,9-13H2,1H3.
What are the key properties of 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine?
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine has a molecular weight of 394.90 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 58020299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).