N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine

C17H29FN2O — CID 115955301

IUPACN-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCOc1c(F)cccc1CNCC(C)C
InChIInChI=1S/C17H29FN2O/c1-5-20(6-2)10-11-21-17-15(8-7-9-16(17)18)13-19-12-14(3)4/h7-9,14,19H,5-6,10-13H2,1-4H3
InChIKeyTXTICBWFOVJQEP-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.29
Rot. Bonds10

About N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 115955301) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID115955301
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCOc1c(F)cccc1CNCC(C)C
InChIInChI=1S/C17H29FN2O/c1-5-20(6-2)10-11-21-17-15(8-7-9-16(17)18)13-19-12-14(3)4/h7-9,14,19H,5-6,10-13H2,1-4H3
InChIKeyTXTICBWFOVJQEP-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-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

N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107696867
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 112610784
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
N-[[3-fluoro-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 112610806
N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057630
1-ethoxy-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955302
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
N-[[3-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955351

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 115955301) is N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine is CCN(CC)CCOc1c(F)cccc1CNCC(C)C.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is TXTICBWFOVJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-5-20(6-2)10-11-21-17-15(8-7-9-16(17)18)13-19-12-14(3)4/h7-9,14,19H,5-6,10-13H2,1-4H3.
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.43 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115955301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).