2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid

C14H18BrNO3 — CID 66433752

IUPAC2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1ccc(Br)cc1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18BrNO3/c1-10(11-2-4-12(15)5-3-11)16-6-7-19-13(9-16)8-14(17)18/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyBZSUPNROSMDEKY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid

2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66433752) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
PubChem CID66433752
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1ccc(Br)cc1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18BrNO3/c1-10(11-2-4-12(15)5-3-11)16-6-7-19-13(9-16)8-14(17)18/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyBZSUPNROSMDEKY-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
2-[4-(5-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433224
4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
CID 65067615
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol
CID 81206159
4-[1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 65067070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid (CID 66433752) is 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid is CC(c1ccc(Br)cc1)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is BZSUPNROSMDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10(11-2-4-12(15)5-3-11)16-6-7-19-13(9-16)8-14(17)18/h2-5,10,13H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid?
2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 328.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).