4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine

C19H23NO3 — CID 11151135

IUPAC4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine
SMILESCOc1ccccc1OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H23NO3/c1-21-18-9-5-6-10-19(18)23-15-17-14-20(11-12-22-17)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyMZGHPKFQFUACLN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.97
Rot. Bonds6

About 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine

4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine (PubChem CID 11151135) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine
PubChem CID11151135
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine
SMILESCOc1ccccc1OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H23NO3/c1-21-18-9-5-6-10-19(18)23-15-17-14-20(11-12-22-17)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyMZGHPKFQFUACLN-UHFFFAOYSA-N
XLogP2.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8478
Reboxetine
CID 127151
Esreboxetine
CID 65856
Benzethonium
CID 2335
Bephenium
CID 19667
2-((2-Ethoxyphenoxy)(phenyl)methyl)morpholine
CID 3022645
Guaiapate
CID 70066
1-Benzyl-4-chroman-2-ylmethyl-piperazine
CID 10758200
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-phenyl-1-ethanamine
CID 2850689
4-Benzyl-1-(2-phenoxyethyl)piperidine
CID 1328600
2-(2-(4-(3-Phenoxybenzyl)piperazin-1-yl)ethoxy)ethanol
CID 11688990
4-[(3,4-Dimethoxyphenyl)methyl]morpholine
CID 782582

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine?
The IUPAC name of 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine (CID 11151135) is 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine?
The canonical SMILES for 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine is COc1ccccc1OCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine?
The InChIKey is MZGHPKFQFUACLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-18-9-5-6-10-19(18)23-15-17-14-20(11-12-22-17)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3.
What are the key properties of 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine?
4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(2-methoxyphenoxy)methyl]morpholine is sourced from PubChem (CID 11151135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).