[4-(aminomethyl)phenyl] 2-phenylacetate

C15H15NO2 — CID 155535056

IUPAC[4-(aminomethyl)phenyl] 2-phenylacetate
SMILESNCc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeySGZUIKNYSSFNNZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.29
Rot. Bonds4

About [4-(aminomethyl)phenyl] 2-phenylacetate

[4-(aminomethyl)phenyl] 2-phenylacetate (PubChem CID 155535056) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl] 2-phenylacetate
PubChem CID155535056
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name[4-(aminomethyl)phenyl] 2-phenylacetate
SMILESNCc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeySGZUIKNYSSFNNZ-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(aminomethyl)phenyl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-CRESYL PHENYLACETATE
CID 60997
Cetraxate hydrochloride
CID 34001
O-benzyl-L-tyrosine
CID 725701
(4-Phenoxyphenyl)methanamine
CID 2760343
4-(4-Carbamoylphenoxy)benzamide
CID 236501
6-(aminomethyl)-2H-chromen-2-one
CID 45485270
3-(4-((4-(Aminomethyl)cyclohexane-1-carbonyl)oxy)phenyl)propanoic acid
CID 2680
[4-(Benzyloxy)phenyl]methanamine hydrochloride
CID 23372523
3-Amino-3-(4-methoxyphenyl)propanoic acid
CID 585889
3-Amino-3-(4-propoxyphenyl)propanoic acid
CID 2835309
(4-(4-Fluorophenoxy)phenyl)methanamine
CID 3860377
(3R)-3-azaniumyl-2,2-difluoro-3-(4-methoxyphenyl)propanoate
CID 44449108

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl] 2-phenylacetate?
The IUPAC name of [4-(aminomethyl)phenyl] 2-phenylacetate (CID 155535056) is [4-(aminomethyl)phenyl] 2-phenylacetate.
What is the SMILES notation for [4-(aminomethyl)phenyl] 2-phenylacetate?
The canonical SMILES for [4-(aminomethyl)phenyl] 2-phenylacetate is NCc1ccc(OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl] 2-phenylacetate?
The InChIKey is SGZUIKNYSSFNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10-11,16H2.
What are the key properties of [4-(aminomethyl)phenyl] 2-phenylacetate?
[4-(aminomethyl)phenyl] 2-phenylacetate has a molecular weight of 241.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl] 2-phenylacetate is sourced from PubChem (CID 155535056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).