2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine

C15H21F2NO — CID 115809974

IUPAC2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCCCO1
InChIInChI=1S/C15H21F2NO/c1-2-18-14(15-5-3-4-8-19-15)10-11-9-12(16)6-7-13(11)17/h6-7,9,14-15,18H,2-5,8,10H2,1H3
InChIKeyDSFUYLVUKBFSOF-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.05
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine

2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (PubChem CID 115809974) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
PubChem CID115809974
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCCCO1
InChIInChI=1S/C15H21F2NO/c1-2-18-14(15-5-3-4-8-19-15)10-11-9-12(16)6-7-13(11)17/h6-7,9,14-15,18H,2-5,8,10H2,1H3
InChIKeyDSFUYLVUKBFSOF-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (CID 115809974) is 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is CCNC(Cc1cc(F)ccc1F)C1CCCCO1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The InChIKey is DSFUYLVUKBFSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-18-14(15-5-3-4-8-19-15)10-11-9-12(16)6-7-13(11)17/h6-7,9,14-15,18H,2-5,8,10H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 115809974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).