3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine

C20H27FN2O — CID 138695586

IUPAC3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine
SMILESCC(OCCN)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27FN2O/c1-17(24-13-12-22)20(21)16-23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11,17,20H,12-16,22H2,1H3
InChIKeyGOYXMXCVGMYEKM-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.39
Rot. Bonds10

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

3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine (PubChem CID 138695586) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine
PubChem CID138695586
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine
SMILESCC(OCCN)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27FN2O/c1-17(24-13-12-22)20(21)16-23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11,17,20H,12-16,22H2,1H3
InChIKeyGOYXMXCVGMYEKM-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethoxy)-N,N-dibenzyl-2-fluoro-3-methylbutan-1-amine
CID 138694639
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
3-[1-[3-[benzyl(3-phenylmethoxypropyl)amino]propoxy]ethoxy]propan-1-amine
CID 177226788
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine
CID 58213392
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine?
The IUPAC name of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine (CID 138695586) is 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine.
What is the SMILES notation for 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine?
The canonical SMILES for 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine is CC(OCCN)C(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine?
The InChIKey is GOYXMXCVGMYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-17(24-13-12-22)20(21)16-23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11,17,20H,12-16,22H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine?
3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine has a molecular weight of 330.45 g/mol, XLogP of 3.39, 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-fluorobutan-1-amine is sourced from PubChem (CID 138695586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).