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

C16H16ClNO3 — CID 10757001

IUPAC2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO3/c17-14-3-1-2-13(8-14)11-21-15-6-4-12(5-7-15)9-18-10-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKeyNRZFMUXRSJGRBQ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.09
Rot. Bonds7

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

2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid (PubChem CID 10757001) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
PubChem CID10757001
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO3/c17-14-3-1-2-13(8-14)11-21-15-6-4-12(5-7-15)9-18-10-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKeyNRZFMUXRSJGRBQ-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[(3-chlorophenyl)methoxy]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid (CID 10757001) is 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid is O=C(O)CNCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
The InChIKey is NRZFMUXRSJGRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-3-1-2-13(8-14)11-21-15-6-4-12(5-7-15)9-18-10-16(19)20/h1-8,18H,9-11H2,(H,19,20).
What are the key properties of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid has a molecular weight of 305.76 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid is sourced from PubChem (CID 10757001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).