1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine

C17H27F2NO — CID 116760137

IUPAC1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(F)c1)C(CC)(CC)OCC
InChIInChI=1S/C17H27F2NO/c1-5-17(6-2,21-8-4)16(20-7-3)12-13-9-10-14(18)15(19)11-13/h9-11,16,20H,5-8,12H2,1-4H3
InChIKeyYEKVMHTUZNQKJG-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.08
Rot. Bonds9

About 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine

1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine (PubChem CID 116760137) has the molecular formula C17H27F2NO and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
PubChem CID116760137
Molecular FormulaC17H27F2NO
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(F)c1)C(CC)(CC)OCC
InChIInChI=1S/C17H27F2NO/c1-5-17(6-2,21-8-4)16(20-7-3)12-13-9-10-14(18)15(19)11-13/h9-11,16,20H,5-8,12H2,1-4H3
InChIKeyYEKVMHTUZNQKJG-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-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

3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760116
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 105004706

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine (CID 116760137) is 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine is CCNC(Cc1ccc(F)c(F)c1)C(CC)(CC)OCC.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
The InChIKey is YEKVMHTUZNQKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-5-17(6-2,21-8-4)16(20-7-3)12-13-9-10-14(18)15(19)11-13/h9-11,16,20H,5-8,12H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine has a molecular weight of 299.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine is sourced from PubChem (CID 116760137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).