ethane;4-[(2-methylphenyl)methyl]morpholine

C14H23NO — CID 142083627

IUPACethane;4-[(2-methylphenyl)methyl]morpholine
SMILESCC.Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C12H17NO.C2H6/c1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-2/h2-5H,6-10H2,1H3;1-2H3
InChIKeyLWKLUVVYXJIXSJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds2

About ethane;4-[(2-methylphenyl)methyl]morpholine

ethane;4-[(2-methylphenyl)methyl]morpholine (PubChem CID 142083627) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;4-[(2-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Nameethane;4-[(2-methylphenyl)methyl]morpholine
PubChem CID142083627
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;4-[(2-methylphenyl)methyl]morpholine
SMILESCC.Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C12H17NO.C2H6/c1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-2/h2-5H,6-10H2,1H3;1-2H3
InChIKeyLWKLUVVYXJIXSJ-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
4-[[3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]phenyl]methyl]morpholine
CID 129059200
4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine
CID 177472907
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
CID 139239818
CID 139239818
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
CID 131887032
CID 131887032
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2-methylphenyl)methyl]morpholine?
The IUPAC name of ethane;4-[(2-methylphenyl)methyl]morpholine (CID 142083627) is ethane;4-[(2-methylphenyl)methyl]morpholine.
What is the SMILES notation for ethane;4-[(2-methylphenyl)methyl]morpholine?
The canonical SMILES for ethane;4-[(2-methylphenyl)methyl]morpholine is CC.Cc1ccccc1CN1CCOCC1.
What is the InChIKey of ethane;4-[(2-methylphenyl)methyl]morpholine?
The InChIKey is LWKLUVVYXJIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-2/h2-5H,6-10H2,1H3;1-2H3.
What are the key properties of ethane;4-[(2-methylphenyl)methyl]morpholine?
ethane;4-[(2-methylphenyl)methyl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2-methylphenyl)methyl]morpholine is sourced from PubChem (CID 142083627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).