4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol

C15H23FN2O2 — CID 114950051

IUPAC4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
SMILESCC(N)c1ccc(N(C)CC2(O)CCOCC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-11(17)12-3-4-14(13(16)9-12)18(2)10-15(19)5-7-20-8-6-15/h3-4,9,11,19H,5-8,10,17H2,1-2H3
InChIKeyDZTJOOQZKDWIAB-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.82
Rot. Bonds4

About 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol

4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol (PubChem CID 114950051) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
PubChem CID114950051
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
SMILESCC(N)c1ccc(N(C)CC2(O)CCOCC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-11(17)12-3-4-14(13(16)9-12)18(2)10-15(19)5-7-20-8-6-15/h3-4,9,11,19H,5-8,10,17H2,1-2H3
InChIKeyDZTJOOQZKDWIAB-UHFFFAOYSA-N
XLogP1.82
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985498
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
CID 104985520
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
4-[[2-amino-N-methyl-4-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947569

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol (CID 114950051) is 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol is CC(N)c1ccc(N(C)CC2(O)CCOCC2)c(F)c1.
What is the InChIKey of 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol?
The InChIKey is DZTJOOQZKDWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(17)12-3-4-14(13(16)9-12)18(2)10-15(19)5-7-20-8-6-15/h3-4,9,11,19H,5-8,10,17H2,1-2H3.
What are the key properties of 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol?
4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol has a molecular weight of 282.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol is sourced from PubChem (CID 114950051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).