(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine

C16H26N2O3 — CID 30066490

IUPAC(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESCOc1cccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1OC
InChIInChI=1S/C16H26N2O3/c1-11-9-18(10-12(2)21-11)14(8-17)13-6-5-7-15(19-3)16(13)20-4/h5-7,11-12,14H,8-10,17H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeySUUAHXZFOMJMML-OBJOEFQTSA-N
MW294.40 g/mol
LogP1.81
Rot. Bonds5

About (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine

(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (PubChem CID 30066490) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
PubChem CID30066490
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESCOc1cccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1OC
InChIInChI=1S/C16H26N2O3/c1-11-9-18(10-12(2)21-11)14(8-17)13-6-5-7-15(19-3)16(13)20-4/h5-7,11-12,14H,8-10,17H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeySUUAHXZFOMJMML-OBJOEFQTSA-N
XLogP1.81
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30070601
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787
2-(2,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 104958120
2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
CID 84746481
1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460436
2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine
CID 104504039
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine?
The IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (CID 30066490) is (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine.
What is the SMILES notation for (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine?
The canonical SMILES for (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine is COc1cccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1OC.
What is the InChIKey of (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine?
The InChIKey is SUUAHXZFOMJMML-OBJOEFQTSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-9-18(10-12(2)21-11)14(8-17)13-6-5-7-15(19-3)16(13)20-4/h5-7,11-12,14H,8-10,17H2,1-4H3/t11-,12-,14-/m0/s1.
What are the key properties of (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine?
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine has a molecular weight of 294.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine is sourced from PubChem (CID 30066490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).