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

C14H21BrN2O — CID 30072752

IUPAC(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN([C@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1
InChIInChI=1S/C14H21BrN2O/c1-10-8-17(9-11(2)18-10)14(7-16)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3/t10-,11-,14-/m1/s1
InChIKeyNOVVOAJSVRVRGX-JTNHKYCSSA-N
MW313.24 g/mol
LogP2.56
Rot. Bonds3

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

(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (PubChem CID 30072752) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
PubChem CID30072752
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN([C@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1
InChIInChI=1S/C14H21BrN2O/c1-10-8-17(9-11(2)18-10)14(7-16)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3/t10-,11-,14-/m1/s1
InChIKeyNOVVOAJSVRVRGX-JTNHKYCSSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43089491
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 30049408
2-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 16782210
2-(3,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 106528795
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine
CID 118497616
2-(3,5-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 106528465
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 102840044
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The IUPAC name of (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (CID 30072752) is (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is C[C@@H]1CN([C@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The InChIKey is NOVVOAJSVRVRGX-JTNHKYCSSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-8-17(9-11(2)18-10)14(7-16)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3/t10-,11-,14-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is sourced from PubChem (CID 30072752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).