(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine

C14H21NO2 — CID 6937591

IUPAC(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
SMILESCOc1ccccc1CN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H21NO2/c1-11-8-15(9-12(2)17-11)10-13-6-4-5-7-14(13)16-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyWEKGZAWJOBJDGM-RYUDHWBXSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds3

About (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine

(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 6937591) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
PubChem CID6937591
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
SMILESCOc1ccccc1CN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H21NO2/c1-11-8-15(9-12(2)17-11)10-13-6-4-5-7-14(13)16-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyWEKGZAWJOBJDGM-RYUDHWBXSA-N
XLogP2.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 29217764
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine
CID 82215121
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine
CID 113249409
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559861
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine (CID 6937591) is (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine is COc1ccccc1CN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is WEKGZAWJOBJDGM-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-8-15(9-12(2)17-11)10-13-6-4-5-7-14(13)16-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 235.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 6937591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).