2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol

C15H23FN2O — CID 107878292

IUPAC2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
SMILESNCc1cc(CN(CCO)C2CCCC2)ccc1F
InChIInChI=1S/C15H23FN2O/c16-15-6-5-12(9-13(15)10-17)11-18(7-8-19)14-3-1-2-4-14/h5-6,9,14,19H,1-4,7-8,10-11,17H2
InChIKeyGNLJWTRPHLXHMX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.02
Rot. Bonds6

About 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol (PubChem CID 107878292) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
PubChem CID107878292
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
SMILESNCc1cc(CN(CCO)C2CCCC2)ccc1F
InChIInChI=1S/C15H23FN2O/c16-15-6-5-12(9-13(15)10-17)11-18(7-8-19)14-3-1-2-4-14/h5-6,9,14,19H,1-4,7-8,10-11,17H2
InChIKeyGNLJWTRPHLXHMX-UHFFFAOYSA-N
XLogP2.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879297
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
CID 61036825
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol (CID 107878292) is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol is NCc1cc(CN(CCO)C2CCCC2)ccc1F.
What is the InChIKey of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol?
The InChIKey is GNLJWTRPHLXHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-15-6-5-12(9-13(15)10-17)11-18(7-8-19)14-3-1-2-4-14/h5-6,9,14,19H,1-4,7-8,10-11,17H2.
What are the key properties of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol?
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol is sourced from PubChem (CID 107878292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).