2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol

C12H17ClFNO — CID 782960

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h3-5,16H,2,6-9H2,1H3
InChIKeyDFJDMXRYFMLHCD-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.68
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol

2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol (PubChem CID 782960) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol
PubChem CID782960
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h3-5,16H,2,6-9H2,1H3
InChIKeyDFJDMXRYFMLHCD-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol (CID 782960) is 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol?
The InChIKey is DFJDMXRYFMLHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h3-5,16H,2,6-9H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]ethanol?
2-[(2-chloro-6-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-6-fluorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 782960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).