2-[[4-(aminomethyl)phenyl]methyl]benzoic acid

C15H15NO2 — CID 19794414

IUPAC2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
SMILESNCc1ccc(Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO2/c16-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)15(17)18/h1-8H,9-10,16H2,(H,17,18)
InChIKeyWYUOIUCXHIGJDS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.43
Rot. Bonds4

About 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid

2-[[4-(aminomethyl)phenyl]methyl]benzoic acid (PubChem CID 19794414) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
PubChem CID19794414
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
SMILESNCc1ccc(Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO2/c16-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)15(17)18/h1-8H,9-10,16H2,(H,17,18)
InChIKeyWYUOIUCXHIGJDS-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[[4-(2-phenylethynyl)phenyl]methyl]benzoic acid
CID 142972034
2-[(4-amino-3-hydroxyphenyl)methyl]benzoic acid
CID 175137098
2-[(2,6-dimethylphenyl)methyl]benzoic acid
CID 158215525
2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
CID 79740576
2-[(4-phenylphenyl)methyl]benzoate
CID 2290992
2-benzylbenzoic acid;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134202
2-ethylbenzoic acid;tungsten
CID 23518478
2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
CID 70452171
4-[(2-aminophenyl)methyl]benzoic acid
CID 22360767
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid (CID 19794414) is 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid is NCc1ccc(Cc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid?
The InChIKey is WYUOIUCXHIGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)15(17)18/h1-8H,9-10,16H2,(H,17,18).
What are the key properties of 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid?
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methyl]benzoic acid is sourced from PubChem (CID 19794414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).