1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine

C16H25F2NO — CID 114932658

IUPAC1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1c(F)cccc1F)C(OCC)C(C)C
InChIInChI=1S/C16H25F2NO/c1-5-19-15(16(11(3)4)20-6-2)10-12-13(17)8-7-9-14(12)18/h7-9,11,15-16,19H,5-6,10H2,1-4H3
InChIKeyQKKQGXOSPNORKJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.55
Rot. Bonds8

About 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine

1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine (PubChem CID 114932658) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
PubChem CID114932658
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1c(F)cccc1F)C(OCC)C(C)C
InChIInChI=1S/C16H25F2NO/c1-5-19-15(16(11(3)4)20-6-2)10-12-13(17)8-7-9-14(12)18/h7-9,11,15-16,19H,5-6,10H2,1-4H3
InChIKeyQKKQGXOSPNORKJ-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-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

1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(2,6-difluorophenyl)-N-ethyl-3-methyl-4-methylsulfanylbutan-2-amine
CID 114222076
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 112653738
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116721524
1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine (CID 114932658) is 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1c(F)cccc1F)C(OCC)C(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The InChIKey is QKKQGXOSPNORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-19-15(16(11(3)4)20-6-2)10-12-13(17)8-7-9-14(12)18/h7-9,11,15-16,19H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 114932658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).