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

C14H21ClN2O — CID 114064893

IUPAC2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
SMILESC[C@@H]1CN(c2ccc(CCN)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C14H21ClN2O/c1-10-8-17(9-11(2)18-10)13-4-3-12(5-6-16)14(15)7-13/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3/t10-,11+
InChIKeyPWIHMLXDXDIKCC-PHIMTYICSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds3

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

2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine (PubChem CID 114064893) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
PubChem CID114064893
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
SMILESC[C@@H]1CN(c2ccc(CCN)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C14H21ClN2O/c1-10-8-17(9-11(2)18-10)13-4-3-12(5-6-16)14(15)7-13/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3/t10-,11+
InChIKeyPWIHMLXDXDIKCC-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

2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
4-(4-tert-butyl-3-chlorophenyl)-2,6-dimethylmorpholine
CID 129268374
1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
CID 106667722
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959054
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
2-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933094

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine (CID 114064893) is 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine is C[C@@H]1CN(c2ccc(CCN)c(Cl)c2)C[C@H](C)O1.
What is the InChIKey of 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
The InChIKey is PWIHMLXDXDIKCC-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-8-17(9-11(2)18-10)13-4-3-12(5-6-16)14(15)7-13/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3/t10-,11+.
What are the key properties of 2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine?
2-[2-chloro-4-[(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-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine is sourced from PubChem (CID 114064893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).