2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid

C17H18ClNO4 — CID 66527554

IUPAC2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
SMILESCOc1cc(CNCC(=O)O)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO4/c1-22-16-8-12(9-19-10-17(20)21)5-6-15(16)23-11-13-3-2-4-14(18)7-13/h2-8,19H,9-11H2,1H3,(H,20,21)
InChIKeyULXKCXFYUMBDPH-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.10
Rot. Bonds8

About 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid

2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid (PubChem CID 66527554) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
PubChem CID66527554
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
SMILESCOc1cc(CNCC(=O)O)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO4/c1-22-16-8-12(9-19-10-17(20)21)5-6-15(16)23-11-13-3-2-4-14(18)7-13/h2-8,19H,9-11H2,1H3,(H,20,21)
InChIKeyULXKCXFYUMBDPH-UHFFFAOYSA-N
XLogP3.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17293750
3-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylbenzoic acid
CID 17059795
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17293993
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17294158
N',N'-dibutyl-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214711
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid?
The IUPAC name of 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid (CID 66527554) is 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid is COc1cc(CNCC(=O)O)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid?
The InChIKey is ULXKCXFYUMBDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-22-16-8-12(9-19-10-17(20)21)5-6-15(16)23-11-13-3-2-4-14(18)7-13/h2-8,19H,9-11H2,1H3,(H,20,21).
What are the key properties of 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid?
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid has a molecular weight of 335.79 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid is sourced from PubChem (CID 66527554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).