2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid

C15H15NO2 — CID 1394294

IUPAC2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
SMILESNCc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO2/c16-10-12-3-7-14(8-4-12)13-5-1-11(2-6-13)9-15(17)18/h1-8H,9-10,16H2,(H,17,18)
InChIKeyVBMDZPQLCLVMAS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid

2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid (PubChem CID 1394294) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
PubChem CID1394294
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
SMILESNCc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO2/c16-10-12-3-7-14(8-4-12)13-5-1-11(2-6-13)9-15(17)18/h1-8H,9-10,16H2,(H,17,18)
InChIKeyVBMDZPQLCLVMAS-UHFFFAOYSA-N
XLogP2.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-[4-(4-sulfophenyl)phenyl]acetic acid
CID 58150649
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
CID 86623035
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
bis[4-[4-(aminomethyl)phenyl]phenyl] carbonate
CID 140708041
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid (CID 1394294) is 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid is NCc1ccc(-c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid?
The InChIKey is VBMDZPQLCLVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-10-12-3-7-14(8-4-12)13-5-1-11(2-6-13)9-15(17)18/h1-8H,9-10,16H2,(H,17,18).
What are the key properties of 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid?
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 1394294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).