2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol

C13H17ClFNO2 — CID 114454315

IUPAC2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H17ClFNO2/c14-10-4-9(5-11(15)6-10)13(8-17)16-7-12-2-1-3-18-12/h4-6,12-13,16-17H,1-3,7-8H2
InChIKeyFHLRRMBZBHYIQI-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.28
Rot. Bonds5

About 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol

2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 114454315) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID114454315
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H17ClFNO2/c14-10-4-9(5-11(15)6-10)13(8-17)16-7-12-2-1-3-18-12/h4-6,12-13,16-17H,1-3,7-8H2
InChIKeyFHLRRMBZBHYIQI-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 114453653
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol (CID 114454315) is 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is FHLRRMBZBHYIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c14-10-4-9(5-11(15)6-10)13(8-17)16-7-12-2-1-3-18-12/h4-6,12-13,16-17H,1-3,7-8H2.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 273.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 114454315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).