3-[(5-chloro-2-methoxyphenyl)methyl]morpholine

C12H16ClNO2 — CID 82293165

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(Cl)cc1CC1COCCN1
InChIInChI=1S/C12H16ClNO2/c1-15-12-3-2-10(13)6-9(12)7-11-8-16-5-4-14-11/h2-3,6,11,14H,4-5,7-8H2,1H3
InChIKeyVRQOFGPHFULDKT-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.88
Rot. Bonds3

About 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine

3-[(5-chloro-2-methoxyphenyl)methyl]morpholine (PubChem CID 82293165) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
PubChem CID82293165
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(Cl)cc1CC1COCCN1
InChIInChI=1S/C12H16ClNO2/c1-15-12-3-2-10(13)6-9(12)7-11-8-16-5-4-14-11/h2-3,6,11,14H,4-5,7-8H2,1H3
InChIKeyVRQOFGPHFULDKT-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
CID 117044833
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
3-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-one
CID 82298629
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine (CID 82293165) is 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine is COc1ccc(Cl)cc1CC1COCCN1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine?
The InChIKey is VRQOFGPHFULDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-12-3-2-10(13)6-9(12)7-11-8-16-5-4-14-11/h2-3,6,11,14H,4-5,7-8H2,1H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]morpholine?
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine has a molecular weight of 241.72 g/mol, XLogP of 1.88, 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-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 82293165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).