1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine

C16H23F2NO — CID 115846974

IUPAC1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1F)CC1CCOCC1
InChIInChI=1S/C16H23F2NO/c1-2-19-14(10-12-6-8-20-9-7-12)11-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,2,6-11H2,1H3
InChIKeyAPJKXLGZCQKFMO-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine

1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 115846974) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
PubChem CID115846974
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1F)CC1CCOCC1
InChIInChI=1S/C16H23F2NO/c1-2-19-14(10-12-6-8-20-9-7-12)11-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,2,6-11H2,1H3
InChIKeyAPJKXLGZCQKFMO-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine 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-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
CID 65149953
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
[1-(2-fluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105206863
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105296152
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine (CID 115846974) is 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine is CCNC(Cc1cccc(F)c1F)CC1CCOCC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is APJKXLGZCQKFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-2-19-14(10-12-6-8-20-9-7-12)11-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,2,6-11H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.30, 6 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-ethyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 115846974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).