4-[(2S)-2-chloro-2-phenylethyl]morpholine

C12H16ClNO — CID 92778596

IUPAC4-[(2S)-2-chloro-2-phenylethyl]morpholine
SMILESCl[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H16ClNO/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10H2/t12-/m1/s1
InChIKeyARZJEJJMKGJDDN-GFCCVEGCSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds3

About 4-[(2S)-2-chloro-2-phenylethyl]morpholine

4-[(2S)-2-chloro-2-phenylethyl]morpholine (PubChem CID 92778596) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-[(2S)-2-chloro-2-phenylethyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-chloro-2-phenylethyl]morpholine
PubChem CID92778596
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-[(2S)-2-chloro-2-phenylethyl]morpholine
SMILESCl[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H16ClNO/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10H2/t12-/m1/s1
InChIKeyARZJEJJMKGJDDN-GFCCVEGCSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228
4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine
CID 82214335
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
2-(2-chloro-2-phenylethyl)-3,4-dihydro-1H-isoquinoline
CID 82214226
(1S,2S)-1-(4-chlorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 911541
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-chloro-2-phenylethyl]morpholine?
The IUPAC name of 4-[(2S)-2-chloro-2-phenylethyl]morpholine (CID 92778596) is 4-[(2S)-2-chloro-2-phenylethyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-chloro-2-phenylethyl]morpholine?
The canonical SMILES for 4-[(2S)-2-chloro-2-phenylethyl]morpholine is Cl[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(2S)-2-chloro-2-phenylethyl]morpholine?
The InChIKey is ARZJEJJMKGJDDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10H2/t12-/m1/s1.
What are the key properties of 4-[(2S)-2-chloro-2-phenylethyl]morpholine?
4-[(2S)-2-chloro-2-phenylethyl]morpholine has a molecular weight of 225.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-chloro-2-phenylethyl]morpholine is sourced from PubChem (CID 92778596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).