2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol

C12H19FN2O2 — CID 115120667

IUPAC2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1ccc(CN(C)CC(N)CO)cc1F
InChIInChI=1S/C12H19FN2O2/c1-15(7-10(14)8-16)6-9-3-4-12(17-2)11(13)5-9/h3-5,10,16H,6-8,14H2,1-2H3
InChIKeyBAYGSWHRLSEKTJ-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.59
Rot. Bonds6

About 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol

2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol (PubChem CID 115120667) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
PubChem CID115120667
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1ccc(CN(C)CC(N)CO)cc1F
InChIInChI=1S/C12H19FN2O2/c1-15(7-10(14)8-16)6-9-3-4-12(17-2)11(13)5-9/h3-5,10,16H,6-8,14H2,1-2H3
InChIKeyBAYGSWHRLSEKTJ-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol 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

N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848
3-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120085
2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254550
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121
2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
CID 115120672
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol (CID 115120667) is 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol is COc1ccc(CN(C)CC(N)CO)cc1F.
What is the InChIKey of 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol?
The InChIKey is BAYGSWHRLSEKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-15(7-10(14)8-16)6-9-3-4-12(17-2)11(13)5-9/h3-5,10,16H,6-8,14H2,1-2H3.
What are the key properties of 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol?
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol has a molecular weight of 242.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).