2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid

C18H21NO4 — CID 66527797

IUPAC2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
SMILESCOc1cccc(CNCC(=O)O)c1OCc1cccc(C)c1
InChIInChI=1S/C18H21NO4/c1-13-5-3-6-14(9-13)12-23-18-15(10-19-11-17(20)21)7-4-8-16(18)22-2/h3-9,19H,10-12H2,1-2H3,(H,20,21)
InChIKeyYEQZTOQQRIHKSU-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.76
Rot. Bonds8

About 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid

2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid (PubChem CID 66527797) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
PubChem CID66527797
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
SMILESCOc1cccc(CNCC(=O)O)c1OCc1cccc(C)c1
InChIInChI=1S/C18H21NO4/c1-13-5-3-6-14(9-13)12-23-18-15(10-19-11-17(20)21)7-4-8-16(18)22-2/h3-9,19H,10-12H2,1-2H3,(H,20,21)
InChIKeyYEQZTOQQRIHKSU-UHFFFAOYSA-N
XLogP2.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528338
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
4-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987474
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 54803840
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
CID 82185820
4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid (CID 66527797) is 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid is COc1cccc(CNCC(=O)O)c1OCc1cccc(C)c1.
What is the InChIKey of 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid?
The InChIKey is YEQZTOQQRIHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-5-3-6-14(9-13)12-23-18-15(10-19-11-17(20)21)7-4-8-16(18)22-2/h3-9,19H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid?
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid is sourced from PubChem (CID 66527797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).