3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine

C13H18ClNO2 — CID 116927929

IUPAC3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
SMILESCOc1cc(C)c(Cl)cc1CC1COCCN1
InChIInChI=1S/C13H18ClNO2/c1-9-5-13(16-2)10(7-12(9)14)6-11-8-17-4-3-15-11/h5,7,11,15H,3-4,6,8H2,1-2H3
InChIKeyMJGPDJXCHUJIDI-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.19
Rot. Bonds3

About 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine

3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine (PubChem CID 116927929) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
PubChem CID116927929
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
SMILESCOc1cc(C)c(Cl)cc1CC1COCCN1
InChIInChI=1S/C13H18ClNO2/c1-9-5-13(16-2)10(7-12(9)14)6-11-8-17-4-3-15-11/h5,7,11,15H,3-4,6,8H2,1-2H3
InChIKeyMJGPDJXCHUJIDI-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine?
The IUPAC name of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine (CID 116927929) is 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine?
The canonical SMILES for 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine is COc1cc(C)c(Cl)cc1CC1COCCN1.
What is the InChIKey of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine?
The InChIKey is MJGPDJXCHUJIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-5-13(16-2)10(7-12(9)14)6-11-8-17-4-3-15-11/h5,7,11,15H,3-4,6,8H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine?
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine has a molecular weight of 255.74 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 116927929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).