(2-amino-3-phenylpropyl) 2-methylbenzoate

C17H19NO2 — CID 162385429

IUPAC(2-amino-3-phenylpropyl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(N)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-7-5-6-10-16(13)17(19)20-12-15(18)11-14-8-3-2-4-9-14/h2-10,15H,11-12,18H2,1H3
InChIKeySEKAGLYVBKVBHB-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.72
Rot. Bonds5

About (2-amino-3-phenylpropyl) 2-methylbenzoate

(2-amino-3-phenylpropyl) 2-methylbenzoate (PubChem CID 162385429) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2-amino-3-phenylpropyl) 2-methylbenzoate.

Molecular Properties

Compound Name(2-amino-3-phenylpropyl) 2-methylbenzoate
PubChem CID162385429
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2-amino-3-phenylpropyl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(N)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-7-5-6-10-16(13)17(19)20-12-15(18)11-14-8-3-2-4-9-14/h2-10,15H,11-12,18H2,1H3
InChIKeySEKAGLYVBKVBHB-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-3-phenylpropyl) 2-methylbenzoate 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

[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
(2-amino-3-phenylpropyl) 2-oxochromene-3-carboxylate
CID 102057036
methyl 2-[(2-amino-3-phenylpropoxy)methyl]benzoate
CID 138110870
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
CID 35753956

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylpropyl) 2-methylbenzoate?
The IUPAC name of (2-amino-3-phenylpropyl) 2-methylbenzoate (CID 162385429) is (2-amino-3-phenylpropyl) 2-methylbenzoate.
What is the SMILES notation for (2-amino-3-phenylpropyl) 2-methylbenzoate?
The canonical SMILES for (2-amino-3-phenylpropyl) 2-methylbenzoate is Cc1ccccc1C(=O)OCC(N)Cc1ccccc1.
What is the InChIKey of (2-amino-3-phenylpropyl) 2-methylbenzoate?
The InChIKey is SEKAGLYVBKVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-7-5-6-10-16(13)17(19)20-12-15(18)11-14-8-3-2-4-9-14/h2-10,15H,11-12,18H2,1H3.
What are the key properties of (2-amino-3-phenylpropyl) 2-methylbenzoate?
(2-amino-3-phenylpropyl) 2-methylbenzoate has a molecular weight of 269.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylpropyl) 2-methylbenzoate is sourced from PubChem (CID 162385429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).