4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine

C16H18ClN3O2 — CID 58930607

IUPAC4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
SMILESClc1nccc(-c2ccc(OCCN3CCOCC3)cc2)n1
InChIInChI=1S/C16H18ClN3O2/c17-16-18-6-5-15(19-16)13-1-3-14(4-2-13)22-12-9-20-7-10-21-11-8-20/h1-6H,7-12H2
InChIKeyWPNYIVAGVAZCIZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.51
Rot. Bonds5

About 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine

4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine (PubChem CID 58930607) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
PubChem CID58930607
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
SMILESClc1nccc(-c2ccc(OCCN3CCOCC3)cc2)n1
InChIInChI=1S/C16H18ClN3O2/c17-16-18-6-5-15(19-16)13-1-3-14(4-2-13)22-12-9-20-7-10-21-11-8-20/h1-6H,7-12H2
InChIKeyWPNYIVAGVAZCIZ-UHFFFAOYSA-N
XLogP2.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212
methyl 4-[[[4-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]amino]methyl]benzoate
CID 58930518
zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]morpholine
CID 5155492
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine
CID 6535449
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
3-N-[3,5-dichloro-4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632524
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine (CID 58930607) is 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine is Clc1nccc(-c2ccc(OCCN3CCOCC3)cc2)n1.
What is the InChIKey of 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine?
The InChIKey is WPNYIVAGVAZCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-16-18-6-5-15(19-16)13-1-3-14(4-2-13)22-12-9-20-7-10-21-11-8-20/h1-6H,7-12H2.
What are the key properties of 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine has a molecular weight of 319.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 58930607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).