2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid

C14H18ClNO3 — CID 106865290

IUPAC2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN2CCOC(CC(=O)O)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-10-2-3-11(13(15)6-10)8-16-4-5-19-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyCXVHRYADXAEDOQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.32
Rot. Bonds4

About 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid

2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid (PubChem CID 106865290) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
PubChem CID106865290
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN2CCOC(CC(=O)O)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-10-2-3-11(13(15)6-10)8-16-4-5-19-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyCXVHRYADXAEDOQ-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433098
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[(2-bromo-4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435837
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
2-[1-[(2-chloro-4-methylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 106865351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid (CID 106865290) is 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid is Cc1ccc(CN2CCOC(CC(=O)O)C2)c(Cl)c1.
What is the InChIKey of 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is CXVHRYADXAEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-2-3-11(13(15)6-10)8-16-4-5-19-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 283.75 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 106865290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).