(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine

C18H22FN3O2 — CID 124965856

IUPAC(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine
SMILESCc1nccc([C@H]2CN(CCCOc3ccccc3F)CCO2)n1
InChIInChI=1S/C18H22FN3O2/c1-14-20-8-7-16(21-14)18-13-22(10-12-24-18)9-4-11-23-17-6-3-2-5-15(17)19/h2-3,5-8,18H,4,9-13H2,1H3/t18-/m1/s1
InChIKeyIHWGLADKXBMQRE-GOSISDBHSA-N
MW331.39 g/mol
LogP2.77
Rot. Bonds6

About (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine

(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine (PubChem CID 124965856) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine
PubChem CID124965856
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine
SMILESCc1nccc([C@H]2CN(CCCOc3ccccc3F)CCO2)n1
InChIInChI=1S/C18H22FN3O2/c1-14-20-8-7-16(21-14)18-13-22(10-12-24-18)9-4-11-23-17-6-3-2-5-15(17)19/h2-3,5-8,18H,4,9-13H2,1H3/t18-/m1/s1
InChIKeyIHWGLADKXBMQRE-GOSISDBHSA-N
XLogP2.77
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113004
(2R)-4-(cyclopropylmethyl)-2-(2-methylpyrimidin-4-yl)morpholine
CID 95843145
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
1-[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]ethanamine
CID 81492284
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine
CID 110114943
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
N-[[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928034
N-[[(2R)-4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512555
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
2-[4-[[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
CID 110097235

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine (CID 124965856) is (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine is Cc1nccc([C@H]2CN(CCCOc3ccccc3F)CCO2)n1.
What is the InChIKey of (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine?
The InChIKey is IHWGLADKXBMQRE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-14-20-8-7-16(21-14)18-13-22(10-12-24-18)9-4-11-23-17-6-3-2-5-15(17)19/h2-3,5-8,18H,4,9-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine?
(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine has a molecular weight of 331.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 124965856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).