(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine

C12H16ClNO — CID 95447087

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
SMILESC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C12H16ClNO/c1-9-7-14-12(8-15-9)6-10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m0/s1
InChIKeyQUPLJPIJRLSDFC-CABZTGNLSA-N
MW225.72 g/mol
LogP2.26
Rot. Bonds2

About (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine (PubChem CID 95447087) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
PubChem CID95447087
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
SMILESC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C12H16ClNO/c1-9-7-14-12(8-15-9)6-10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m0/s1
InChIKeyQUPLJPIJRLSDFC-CABZTGNLSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chlorophenyl)-3-methylmorpholine
CID 215992
1-(4-Chlorophenyl)-2-(isopropylamino)ethanol
CID 24212023
3-Benzylmorpholine
CID 3283983
2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16461923
2-Propanol, 1-(p-chlorophenyl-tert-butyl)amino-
CID 89514
Piperidine, 1-(beta-butoxy-p-chlorophenethyl)-, hydrochloride
CID 204988
3-Piperidinol, 2-(p-chloro-alpha-cyclohexylbenzyl)-, hydrochloride
CID 209483
Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-10-chloro-, trans-
CID 3064619
Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-9-chloro-, (E)-
CID 3064620
2-(4-Chlorophenyl)-2-methylmorpholine--hydrogen chloride (1/1)
CID 3066042
2-(4-Chlorophenyl)-2-ethylmorpholine--hydrogen chloride (1/1)
CID 3066050
2-(4-Chlorophenyl)-2-methylmorpholine
CID 3066043

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine (CID 95447087) is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine is C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
The InChIKey is QUPLJPIJRLSDFC-CABZTGNLSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-7-14-12(8-15-9)6-10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m0/s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine has a molecular weight of 225.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholine is sourced from PubChem (CID 95447087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).