2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol

C13H21FN2O — CID 107113213

IUPAC2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(CN)c1F
InChIInChI=1S/C13H21FN2O/c1-2-6-16(7-8-17)10-12-5-3-4-11(9-15)13(12)14/h3-5,17H,2,6-10,15H2,1H3
InChIKeyZKYPQPLQGGUPFZ-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.49
Rot. Bonds7

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

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol (PubChem CID 107113213) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
PubChem CID107113213
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(CN)c1F
InChIInChI=1S/C13H21FN2O/c1-2-6-16(7-8-17)10-12-5-3-4-11(9-15)13(12)14/h3-5,17H,2,6-10,15H2,1H3
InChIKeyZKYPQPLQGGUPFZ-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
CID 107117720
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
CID 60692253
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
(2-fluoro-3-propylphenyl)methanamine
CID 139576799
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol (CID 107113213) is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol is CCCN(CCO)Cc1cccc(CN)c1F.
What is the InChIKey of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol?
The InChIKey is ZKYPQPLQGGUPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-2-6-16(7-8-17)10-12-5-3-4-11(9-15)13(12)14/h3-5,17H,2,6-10,15H2,1H3.
What are the key properties of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol?
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol is sourced from PubChem (CID 107113213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).