3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol

C15H23FN2O — CID 102860629

IUPAC3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
SMILESNCc1ccc(CN(CCCO)C2CCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c16-15-9-12(10-17)5-6-13(15)11-18(7-2-8-19)14-3-1-4-14/h5-6,9,14,19H,1-4,7-8,10-11,17H2
InChIKeyHTVOYZIVUZIJSS-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.02
Rot. Bonds7

About 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol

3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol (PubChem CID 102860629) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
PubChem CID102860629
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
SMILESNCc1ccc(CN(CCCO)C2CCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c16-15-9-12(10-17)5-6-13(15)11-18(7-2-8-19)14-3-1-4-14/h5-6,9,14,19H,1-4,7-8,10-11,17H2
InChIKeyHTVOYZIVUZIJSS-UHFFFAOYSA-N
XLogP2.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]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

3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 61444590
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
3-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115730
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol (CID 102860629) is 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol is NCc1ccc(CN(CCCO)C2CCC2)c(F)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol?
The InChIKey is HTVOYZIVUZIJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-15-9-12(10-17)5-6-13(15)11-18(7-2-8-19)14-3-1-4-14/h5-6,9,14,19H,1-4,7-8,10-11,17H2.
What are the key properties of 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol?
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102860629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).