1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine

C16H23F2NO — CID 104993032

IUPAC1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCNC(CCCC1CCCO1)Cc1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-19-13(6-3-7-14-8-4-10-20-14)11-12-5-2-9-15(17)16(12)18/h2,5,9,13-14,19H,3-4,6-8,10-11H2,1H3
InChIKeyWEJTYXMTADQLOW-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds7

About 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine

1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 104993032) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID104993032
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCNC(CCCC1CCCO1)Cc1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-19-13(6-3-7-14-8-4-10-20-14)11-12-5-2-9-15(17)16(12)18/h2,5,9,13-14,19H,3-4,6-8,10-11H2,1H3
InChIKeyWEJTYXMTADQLOW-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976783
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine (CID 104993032) is 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine is CNC(CCCC1CCCO1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is WEJTYXMTADQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-19-13(6-3-7-14-8-4-10-20-14)11-12-5-2-9-15(17)16(12)18/h2,5,9,13-14,19H,3-4,6-8,10-11H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 104993032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).