ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane

C25H50F2N2O — CID 143151553

IUPACethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane
SMILESCC.CC.CCC(C)(C)F.COC.NC(CCN1CCCC1)Cc1ccccc1F
InChIInChI=1S/C14H21FN2.C5H11F.C2H6O.2C2H6/c15-14-6-2-1-5-12(14)11-13(16)7-10-17-8-3-4-9-17;1-4-5(2,3)6;1-3-2;2*1-2/h1-2,5-6,13H,3-4,7-11,16H2;4H2,1-3H3;1-2H3;2*1-2H3
InChIKeyREAKEXVBOOENCC-UHFFFAOYSA-N
MW432.68 g/mol
LogP6.64
Rot. Bonds6

About ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane

ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane (PubChem CID 143151553) has the molecular formula C25H50F2N2O and a molecular weight of 432.68 g/mol. Its IUPAC name is ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane.

Molecular Properties

Compound Nameethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane
PubChem CID143151553
Molecular FormulaC25H50F2N2O
Molecular Weight432.68 g/mol
Exact Mass432.39
IUPAC Nameethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane
SMILESCC.CC.CCC(C)(C)F.COC.NC(CCN1CCCC1)Cc1ccccc1F
InChIInChI=1S/C14H21FN2.C5H11F.C2H6O.2C2H6/c15-14-6-2-1-5-12(14)11-13(16)7-10-17-8-3-4-9-17;1-4-5(2,3)6;1-3-2;2*1-2/h1-2,5-6,13H,3-4,7-11,16H2;4H2,1-3H3;1-2H3;2*1-2H3
InChIKeyREAKEXVBOOENCC-UHFFFAOYSA-N
XLogP6.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane 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

ethane;(2R)-1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;N-(2,2,2-trifluoroethylsulfanyl)methanamine
CID 143151525
(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 143151502
1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
CID 143151495
3-(azepan-1-yl)-1-(2-fluorophenyl)-3-methylbutan-2-amine
CID 79050643
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide
CID 69136155
1-(2-fluorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627776
(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
CID 143290721
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
(2R)-4-[3-(3-methoxyphenyl)piperidin-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 24994617
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane?
The IUPAC name of ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane (CID 143151553) is ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane.
What is the SMILES notation for ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane?
The canonical SMILES for ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane is CC.CC.CCC(C)(C)F.COC.NC(CCN1CCCC1)Cc1ccccc1F.
What is the InChIKey of ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane?
The InChIKey is REAKEXVBOOENCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.C5H11F.C2H6O.2C2H6/c15-14-6-2-1-5-12(14)11-13(16)7-10-17-8-3-4-9-17;1-4-5(2,3)6;1-3-2;2*1-2/h1-2,5-6,13H,3-4,7-11,16H2;4H2,1-3H3;1-2H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane?
ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane has a molecular weight of 432.68 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane is sourced from PubChem (CID 143151553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).