4-[(2-methylphenyl)methyl]morpholin-4-ium

C12H18NO+ — CID 7445084

IUPAC4-[(2-methylphenyl)methyl]morpholin-4-ium
SMILESCc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C12H17NO/c1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13/h2-5H,6-10H2,1H3/p+1
InChIKeyPPMUIPNPFXLGLZ-UHFFFAOYSA-O
MW192.28 g/mol
LogP0.41
Rot. Bonds2

About 4-[(2-methylphenyl)methyl]morpholin-4-ium

4-[(2-methylphenyl)methyl]morpholin-4-ium (PubChem CID 7445084) has the molecular formula C12H18NO+ and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]morpholin-4-ium
PubChem CID7445084
Molecular FormulaC12H18NO+
Molecular Weight192.28 g/mol
Exact Mass192.14
IUPAC Name4-[(2-methylphenyl)methyl]morpholin-4-ium
SMILESCc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C12H17NO/c1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13/h2-5H,6-10H2,1H3/p+1
InChIKeyPPMUIPNPFXLGLZ-UHFFFAOYSA-O
XLogP0.41
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 5175463
1-methyl-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 6937365
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
1-[(2-methylphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410070
4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium
CID 2244994
1-[(3-chlorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 4744297
1-(2,3-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium
CID 6983204
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol;chloride;hydrate
CID 43833384
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
CID 7064770

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(2-methylphenyl)methyl]morpholin-4-ium (CID 7445084) is 4-[(2-methylphenyl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(2-methylphenyl)methyl]morpholin-4-ium is Cc1ccccc1C[NH+]1CCOCC1.
What is the InChIKey of 4-[(2-methylphenyl)methyl]morpholin-4-ium?
The InChIKey is PPMUIPNPFXLGLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17NO/c1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13/h2-5H,6-10H2,1H3/p+1.
What are the key properties of 4-[(2-methylphenyl)methyl]morpholin-4-ium?
4-[(2-methylphenyl)methyl]morpholin-4-ium has a molecular weight of 192.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]morpholin-4-ium is sourced from PubChem (CID 7445084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).