(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine

C12H17NO — CID 93262596

IUPAC(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc([C@H]2OCCN[C@H]2C)cc1
InChIInChI=1S/C12H17NO/c1-9-3-5-11(6-4-9)12-10(2)13-7-8-14-12/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-/m0/s1
InChIKeyNWNCIXFIIDVRKE-JQWIXIFHSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds1

About (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine

(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine (PubChem CID 93262596) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine
PubChem CID93262596
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc([C@H]2OCCN[C@H]2C)cc1
InChIInChI=1S/C12H17NO/c1-9-3-5-11(6-4-9)12-10(2)13-7-8-14-12/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-/m0/s1
InChIKeyNWNCIXFIIDVRKE-JQWIXIFHSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-3-methylmorpholine
CID 43310155
2-(4-ethoxyphenyl)-3-methylmorpholine
CID 82286594
carbamic acid;3-methyl-2-phenylmorpholine
CID 22214019
(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine
CID 126836923
2-(4-chlorophenyl)-3-methyl-1,4-oxazepane
CID 43498435
2-(3-bromophenyl)-3-methylmorpholine
CID 82623438
2-(2-methoxy-5-methylphenyl)-3-methylmorpholine
CID 82286583
3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 139343551
2,2,5-trimethyl-6-(4-methylphenyl)morpholine
CID 65102432
5-ethyl-3-methyl-2-(4-methylphenyl)morpholine
CID 43366887
3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 135332651
[2-(4-methylphenyl)oxan-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119577255

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine?
The IUPAC name of (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine (CID 93262596) is (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine is Cc1ccc([C@H]2OCCN[C@H]2C)cc1.
What is the InChIKey of (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine?
The InChIKey is NWNCIXFIIDVRKE-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-5-11(6-4-9)12-10(2)13-7-8-14-12/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine?
(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 93262596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).