(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine

C14H21NO — CID 59545911

IUPAC(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
SMILESCCc1cccc(N2CC(C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H21NO/c1-4-13-6-5-7-14(8-13)15-9-11(2)16-12(3)10-15/h5-8,11-12H,4,9-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyCRIGWZZSNHBAJG-PXYINDEMSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds2

About (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine

(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine (PubChem CID 59545911) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
PubChem CID59545911
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
SMILESCCc1cccc(N2CC(C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H21NO/c1-4-13-6-5-7-14(8-13)15-9-11(2)16-12(3)10-15/h5-8,11-12H,4,9-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyCRIGWZZSNHBAJG-PXYINDEMSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine
CID 59545237
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545831
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
4-(3-ethylphenyl)morpholine-2,6-dione
CID 63777941
1-(3-ethylphenyl)-3,3-difluoroazetidine
CID 148676265
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 58143830
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine (CID 59545911) is (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine is CCc1cccc(N2CC(C)O[C@@H](C)C2)c1.
What is the InChIKey of (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine?
The InChIKey is CRIGWZZSNHBAJG-PXYINDEMSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-13-6-5-7-14(8-13)15-9-11(2)16-12(3)10-15/h5-8,11-12H,4,9-10H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine?
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59545911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).