(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine

C17H19FN2O — CID 134252909

IUPAC(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine
SMILESCc1cc(N2CCOC[C@H]2C)ccc1-c1ccc(F)nc1
InChIInChI=1S/C17H19FN2O/c1-12-9-15(20-7-8-21-11-13(20)2)4-5-16(12)14-3-6-17(18)19-10-14/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1
InChIKeyDPBZINDTOIQSBF-CYBMUJFWSA-N
MW286.35 g/mol
LogP3.42
Rot. Bonds2

About (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine

(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine (PubChem CID 134252909) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine
PubChem CID134252909
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine
SMILESCc1cc(N2CCOC[C@H]2C)ccc1-c1ccc(F)nc1
InChIInChI=1S/C17H19FN2O/c1-12-9-15(20-7-8-21-11-13(20)2)4-5-16(12)14-3-6-17(18)19-10-14/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1
InChIKeyDPBZINDTOIQSBF-CYBMUJFWSA-N
XLogP3.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane
CID 158073467
N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide
CID 134252878
2-fluoro-4-(3-methylmorpholin-4-yl)benzenecarbothioamide
CID 115367942
3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 118938849
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one
CID 175074692
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
CID 145231642
(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine
CID 141135548
methane;(3S)-3-methyl-4-(3-morpholin-4-ylphenyl)morpholine
CID 145463706

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine (CID 134252909) is (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine is Cc1cc(N2CCOC[C@H]2C)ccc1-c1ccc(F)nc1.
What is the InChIKey of (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine?
The InChIKey is DPBZINDTOIQSBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-9-15(20-7-8-21-11-13(20)2)4-5-16(12)14-3-6-17(18)19-10-14/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine?
(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine has a molecular weight of 286.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine is sourced from PubChem (CID 134252909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).