2-[2-(aminomethyl)phenyl]benzoic acid

C14H13NO2 — CID 15509383

IUPAC2-[2-(aminomethyl)phenyl]benzoic acid
SMILESNCc1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C14H13NO2/c15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14(16)17/h1-8H,9,15H2,(H,16,17)
InChIKeyIPUFFJSTKHPCBZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.51
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]benzoic acid

2-[2-(aminomethyl)phenyl]benzoic acid (PubChem CID 15509383) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]benzoic acid
PubChem CID15509383
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-[2-(aminomethyl)phenyl]benzoic acid
SMILESNCc1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C14H13NO2/c15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14(16)17/h1-8H,9,15H2,(H,16,17)
InChIKeyIPUFFJSTKHPCBZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Aminomethyl)Benzoic Acid
CID 65526
Phthalamic acid
CID 6957
alpha-Methyl-4-carboxyphenylglycine
CID 1222
(S)-alpha-methyl-4-carboxyphenylglycine
CID 446355
o-Benzylbenzoic acid
CID 11924
Diphenic acid
CID 10210
o-Phenylbenzoic acid
CID 70357
4-[(S)-amino(carboxy)methyl]-3-methylbenzoic acid
CID 5311261
4-Carbamoylbenzoic acid
CID 506057
o-Phenethylbenzoic acid
CID 78603
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
Benzoic acid, compd. with cyclohexanamine (1:1)
CID 197016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(aminomethyl)phenyl]benzoic acid (CID 15509383) is 2-[2-(aminomethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]benzoic acid is NCc1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]benzoic acid?
The InChIKey is IPUFFJSTKHPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14(16)17/h1-8H,9,15H2,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenyl]benzoic acid?
2-[2-(aminomethyl)phenyl]benzoic acid has a molecular weight of 227.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]benzoic acid is sourced from PubChem (CID 15509383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).