2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol

C13H20FNO — CID 115970191

IUPAC2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-3-6-15(7-8-16)10-12-9-13(14)5-4-11(12)2/h4-5,9,16H,3,6-8,10H2,1-2H3
InChIKeyLVCHIMHZHBUBDJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.34
Rot. Bonds6

About 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol

2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol (PubChem CID 115970191) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
PubChem CID115970191
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-3-6-15(7-8-16)10-12-9-13(14)5-4-11(12)2/h4-5,9,16H,3,6-8,10H2,1-2H3
InChIKeyLVCHIMHZHBUBDJ-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
CID 60967044
2-[[butyl(2-hydroxyethyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 64763758
N-(5-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60693543
5-fluoro-2-[[2-hydroxyethyl(pentyl)amino]methyl]benzonitrile
CID 111120315
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
4-N-[(5-fluoro-2-methylphenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105372026

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol (CID 115970191) is 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cc(F)ccc1C.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol?
The InChIKey is LVCHIMHZHBUBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-6-15(7-8-16)10-12-9-13(14)5-4-11(12)2/h4-5,9,16H,3,6-8,10H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol?
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 115970191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).