(3S)-3-(2-chloro-6-methylphenyl)morpholine

C11H14ClNO — CID 131168891

IUPAC(3S)-3-(2-chloro-6-methylphenyl)morpholine
SMILESCc1cccc(Cl)c1[C@H]1COCCN1
InChIInChI=1S/C11H14ClNO/c1-8-3-2-4-9(12)11(8)10-7-14-6-5-13-10/h2-4,10,13H,5-7H2,1H3/t10-/m1/s1
InChIKeyMEGOGPDLVKNUFP-SNVBAGLBSA-N
MW211.69 g/mol
LogP2.31
Rot. Bonds1

About (3S)-3-(2-chloro-6-methylphenyl)morpholine

(3S)-3-(2-chloro-6-methylphenyl)morpholine (PubChem CID 131168891) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (3S)-3-(2-chloro-6-methylphenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(2-chloro-6-methylphenyl)morpholine
PubChem CID131168891
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(3S)-3-(2-chloro-6-methylphenyl)morpholine
SMILESCc1cccc(Cl)c1[C@H]1COCCN1
InChIInChI=1S/C11H14ClNO/c1-8-3-2-4-9(12)11(8)10-7-14-6-5-13-10/h2-4,10,13H,5-7H2,1H3/t10-/m1/s1
InChIKeyMEGOGPDLVKNUFP-SNVBAGLBSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)morpholine
CID 55298000
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
3-(4-chloro-2,5-dimethylphenyl)morpholine
CID 84790642
3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
CID 131447436
3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 107099560
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chloro-6-methylphenyl)morpholine?
The IUPAC name of (3S)-3-(2-chloro-6-methylphenyl)morpholine (CID 131168891) is (3S)-3-(2-chloro-6-methylphenyl)morpholine.
What is the SMILES notation for (3S)-3-(2-chloro-6-methylphenyl)morpholine?
The canonical SMILES for (3S)-3-(2-chloro-6-methylphenyl)morpholine is Cc1cccc(Cl)c1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(2-chloro-6-methylphenyl)morpholine?
The InChIKey is MEGOGPDLVKNUFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-3-2-4-9(12)11(8)10-7-14-6-5-13-10/h2-4,10,13H,5-7H2,1H3/t10-/m1/s1.
What are the key properties of (3S)-3-(2-chloro-6-methylphenyl)morpholine?
(3S)-3-(2-chloro-6-methylphenyl)morpholine has a molecular weight of 211.69 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chloro-6-methylphenyl)morpholine is sourced from PubChem (CID 131168891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).