2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol

C12H17ClFNO — CID 102609322

IUPAC2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-2-5-15(6-7-16)9-10-8-11(14)3-4-12(10)13/h3-4,8,16H,2,5-7,9H2,1H3
InChIKeyLKOOBWDMKCATEL-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.68
Rot. Bonds6

About 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol

2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol (PubChem CID 102609322) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
PubChem CID102609322
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-2-5-15(6-7-16)9-10-8-11(14)3-4-12(10)13/h3-4,8,16H,2,5-7,9H2,1H3
InChIKeyLKOOBWDMKCATEL-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
CID 60967044
2-[[butyl(2-hydroxyethyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 64763758
5-fluoro-2-[[2-hydroxyethyl(pentyl)amino]methyl]benzonitrile
CID 111120315
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
3-[(2-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 115666385
2-[(2-chloro-5-fluorophenyl)methyl-ethylamino]ethanethioamide
CID 102616093
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol (CID 102609322) is 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol?
The InChIKey is LKOOBWDMKCATEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-2-5-15(6-7-16)9-10-8-11(14)3-4-12(10)13/h3-4,8,16H,2,5-7,9H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol?
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol has a molecular weight of 245.72 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 102609322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).