2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine

C14H21ClN2O — CID 104980221

IUPAC2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
SMILESC[C@@H]1CN(c2ccc(Cl)cc2CCN)C[C@H](C)O1
InChIInChI=1S/C14H21ClN2O/c1-10-8-17(9-11(2)18-10)14-4-3-13(15)7-12(14)5-6-16/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3/t10-,11+
InChIKeyONDTVFMONOFWGX-PHIMTYICSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds3

About 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine

2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine (PubChem CID 104980221) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
PubChem CID104980221
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
SMILESC[C@@H]1CN(c2ccc(Cl)cc2CCN)C[C@H](C)O1
InChIInChI=1S/C14H21ClN2O/c1-10-8-17(9-11(2)18-10)14-4-3-13(15)7-12(14)5-6-16/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3/t10-,11+
InChIKeyONDTVFMONOFWGX-PHIMTYICSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114862190
[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82299005
2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine
CID 114861712
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 114860829
1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460139

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine (CID 104980221) is 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine is C[C@@H]1CN(c2ccc(Cl)cc2CCN)C[C@H](C)O1.
What is the InChIKey of 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
The InChIKey is ONDTVFMONOFWGX-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-8-17(9-11(2)18-10)14-4-3-13(15)7-12(14)5-6-16/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3/t10-,11+.
What are the key properties of 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine is sourced from PubChem (CID 104980221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).