1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one

C14H19NO2 — CID 174883544

IUPAC1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
SMILESNCc1ccccc1CC(=O)CC1CCCO1
InChIInChI=1S/C14H19NO2/c15-10-12-5-2-1-4-11(12)8-13(16)9-14-6-3-7-17-14/h1-2,4-5,14H,3,6-10,15H2
InChIKeyZZXDGDZUOXBYNN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one

1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one (PubChem CID 174883544) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
PubChem CID174883544
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
SMILESNCc1ccccc1CC(=O)CC1CCCO1
InChIInChI=1S/C14H19NO2/c15-10-12-5-2-1-4-11(12)8-13(16)9-14-6-3-7-17-14/h1-2,4-5,14H,3,6-10,15H2
InChIKeyZZXDGDZUOXBYNN-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one 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

2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
CID 62622674
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 61435991
1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783724
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106497396
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
1-(3-bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-one
CID 54971563
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
CID 65159707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one (CID 174883544) is 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one is NCc1ccccc1CC(=O)CC1CCCO1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one?
The InChIKey is ZZXDGDZUOXBYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-10-12-5-2-1-4-11(12)8-13(16)9-14-6-3-7-17-14/h1-2,4-5,14H,3,6-10,15H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one?
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 174883544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).