3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine

C21H29FN2O — CID 138694639

IUPAC3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)(OCCN)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H29FN2O/c1-21(2,25-14-13-23)20(22)17-24(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20H,13-17,23H2,1-2H3
InChIKeyBHOHSWIVESJZLT-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.78
Rot. Bonds10

About 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine

3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine (PubChem CID 138694639) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine
PubChem CID138694639
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)(OCCN)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H29FN2O/c1-21(2,25-14-13-23)20(22)17-24(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20H,13-17,23H2,1-2H3
InChIKeyBHOHSWIVESJZLT-UHFFFAOYSA-N
XLogP3.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethyl methanesulfonate
CID 138694342
3-[3-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxypropoxy]propanenitrile
CID 138694775
tert-butyl N-[2-[2-[2-[2-[2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138694209
3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine
CID 138695586
2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate
CID 159229703
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
benzyl N-[3-[2-(2-aminoethoxy)ethoxy]-2-fluoro-3-methylbutyl]carbamate
CID 138694418
N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
CID 157145048
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine (CID 138694639) is 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine is CC(C)(OCCN)C(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine?
The InChIKey is BHOHSWIVESJZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-21(2,25-14-13-23)20(22)17-24(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20H,13-17,23H2,1-2H3.
What are the key properties of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine?
3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine has a molecular weight of 344.47 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 138694639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).