2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline

C17H27FN2O — CID 63711528

IUPAC2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)CC1CCCOC1
InChIInChI=1S/C17H27FN2O/c1-4-19-13(2)16-10-15(18)7-8-17(16)20(3)11-14-6-5-9-21-12-14/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3
InChIKeyGPTGBNPAUQJZKW-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline (PubChem CID 63711528) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
PubChem CID63711528
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)CC1CCCOC1
InChIInChI=1S/C17H27FN2O/c1-4-19-13(2)16-10-15(18)7-8-17(16)20(3)11-14-6-5-9-21-12-14/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3
InChIKeyGPTGBNPAUQJZKW-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63711350
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
4-[1-(ethylamino)ethyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712227
4-fluoro-2-N-methyl-2-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726969
4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
1-(2,5-difluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521297
2-fluoro-N-methyl-N-(oxan-3-ylmethyl)-4-(propylaminomethyl)aniline
CID 63713646
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63795040

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline (CID 63711528) is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline is CCNC(C)c1cc(F)ccc1N(C)CC1CCCOC1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
The InChIKey is GPTGBNPAUQJZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-13(2)16-10-15(18)7-8-17(16)20(3)11-14-6-5-9-21-12-14/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline has a molecular weight of 294.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline is sourced from PubChem (CID 63711528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).