2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C15H21BrN2O3 — CID 122043743

IUPAC2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cccc(Br)c2)CCO1
InChIInChI=1S/C15H21BrN2O3/c1-17(11-15(19)20)9-14-10-18(5-6-21-14)8-12-3-2-4-13(16)7-12/h2-4,7,14H,5-6,8-11H2,1H3,(H,19,20)
InChIKeyJMFTYIONQLKOKB-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.67
Rot. Bonds6

About 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043743) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043743
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cccc(Br)c2)CCO1
InChIInChI=1S/C15H21BrN2O3/c1-17(11-15(19)20)9-14-10-18(5-6-21-14)8-12-3-2-4-13(16)7-12/h2-4,7,14H,5-6,8-11H2,1H3,(H,19,20)
InChIKeyJMFTYIONQLKOKB-UHFFFAOYSA-N
XLogP1.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[methyl-[[4-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043601
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043789
2-[methyl-[[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606707

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043743) is 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(Cc2cccc(Br)c2)CCO1.
What is the InChIKey of 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is JMFTYIONQLKOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-17(11-15(19)20)9-14-10-18(5-6-21-14)8-12-3-2-4-13(16)7-12/h2-4,7,14H,5-6,8-11H2,1H3,(H,19,20).
What are the key properties of 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 357.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).