2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine

C13H18ClNO2 — CID 82299355

IUPAC2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine
SMILESCOc1ccc(CC2CNCC(C)O2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-9-7-15-8-11(17-9)5-10-3-4-13(16-2)12(14)6-10/h3-4,6,9,11,15H,5,7-8H2,1-2H3
InChIKeySOEVVNISXHWZIN-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.27
Rot. Bonds3

About 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine

2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine (PubChem CID 82299355) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine
PubChem CID82299355
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine
SMILESCOc1ccc(CC2CNCC(C)O2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-9-7-15-8-11(17-9)5-10-3-4-13(16-2)12(14)6-10/h3-4,6,9,11,15H,5,7-8H2,1-2H3
InChIKeySOEVVNISXHWZIN-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methoxyphenyl)-6-methylmorpholine
CID 82291256
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
CID 11708951
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
(3S,4S)-N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120935657
3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
CID 117032119
2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine
CID 82287919
2-[(3,4-dimethoxy-2-pyridinyl)methoxymethyl]-6-methylmorpholine
CID 103173438
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine (CID 82299355) is 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine is COc1ccc(CC2CNCC(C)O2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine?
The InChIKey is SOEVVNISXHWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-7-15-8-11(17-9)5-10-3-4-13(16-2)12(14)6-10/h3-4,6,9,11,15H,5,7-8H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine?
2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine has a molecular weight of 255.74 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methyl]-6-methylmorpholine is sourced from PubChem (CID 82299355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).