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

C16H26N2O3 — CID 30070601

IUPAC(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESCOc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-11-9-18(10-12(2)21-11)15(8-17)14-6-5-13(19-3)7-16(14)20-4/h5-7,11-12,15H,8-10,17H2,1-4H3/t11-,12+,15-/m0/s1
InChIKeyHUYPIKDZTWEIMM-ZOWXZIJZSA-N
MW294.40 g/mol
LogP1.81
Rot. Bonds5

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

(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (PubChem CID 30070601) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
PubChem CID30070601
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESCOc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-11-9-18(10-12(2)21-11)15(8-17)14-6-5-13(19-3)7-16(14)20-4/h5-7,11-12,15H,8-10,17H2,1-4H3/t11-,12+,15-/m0/s1
InChIKeyHUYPIKDZTWEIMM-ZOWXZIJZSA-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
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30066490
2-(2,4-dimethoxyphenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 43592595
2-(2,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 104958120
2-(2,4-dimethoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43611859
2-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 16782210
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16786884
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (CID 30070601) is (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is COc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The InChIKey is HUYPIKDZTWEIMM-ZOWXZIJZSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-9-18(10-12(2)21-11)15(8-17)14-6-5-13(19-3)7-16(14)20-4/h5-7,11-12,15H,8-10,17H2,1-4H3/t11-,12+,15-/m0/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-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-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is sourced from PubChem (CID 30070601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).