N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine

C17H29FN2O — CID 107696867

IUPACN-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCOc1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C17H29FN2O/c1-5-20(6-2)9-10-21-17-8-7-16(18)11-15(17)13-19-12-14(3)4/h7-8,11,14,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyIYVPXKGTRCHLDP-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.29
Rot. Bonds10

About N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107696867) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID107696867
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCOc1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C17H29FN2O/c1-5-20(6-2)9-10-21-17-8-7-16(18)11-15(17)13-19-12-14(3)4/h7-8,11,14,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyIYVPXKGTRCHLDP-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

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Related Compounds

N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107696863
N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696798
N-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107696753
N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 115955301
N-[[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696827
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
CID 39291785
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[5-fluoro-2-(2-fluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63551058
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 107696867) is N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine is CCN(CC)CCOc1ccc(F)cc1CNCC(C)C.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IYVPXKGTRCHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-5-20(6-2)9-10-21-17-8-7-16(18)11-15(17)13-19-12-14(3)4/h7-8,11,14,19H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-(diethylamino)ethoxy]-5-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]-5-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107696867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).