2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid

C16H17NO2 — CID 1392718

IUPAC2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
SMILESNCCc1cccc(-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C16H17NO2/c17-8-7-12-3-1-5-14(9-12)15-6-2-4-13(10-15)11-16(18)19/h1-6,9-10H,7-8,11,17H2,(H,18,19)
InChIKeyLBUMCXHUXGEFSL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.48
Rot. Bonds5

About 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid

2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid (PubChem CID 1392718) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
PubChem CID1392718
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
SMILESNCCc1cccc(-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C16H17NO2/c17-8-7-12-3-1-5-14(9-12)15-6-2-4-13(10-15)11-16(18)19/h1-6,9-10H,7-8,11,17H2,(H,18,19)
InChIKeyLBUMCXHUXGEFSL-UHFFFAOYSA-N
XLogP2.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid (CID 1392718) is 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid is NCCc1cccc(-c2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid?
The InChIKey is LBUMCXHUXGEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-8-7-12-3-1-5-14(9-12)15-6-2-4-13(10-15)11-16(18)19/h1-6,9-10H,7-8,11,17H2,(H,18,19).
What are the key properties of 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid?
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 1392718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).