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

C17H27FN2O — CID 61432233

IUPAC4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCCNC(C)c1ccc(N(C)CC2CCCCO2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-4-19-13(2)14-8-9-17(16(18)11-14)20(3)12-15-7-5-6-10-21-15/h8-9,11,13,15,19H,4-7,10,12H2,1-3H3
InChIKeyRUMHAUGSVNBFPJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.50
Rot. Bonds6

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

4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 61432233) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID61432233
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCCNC(C)c1ccc(N(C)CC2CCCCO2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-4-19-13(2)14-8-9-17(16(18)11-14)20(3)12-15-7-5-6-10-21-15/h8-9,11,13,15,19H,4-7,10,12H2,1-3H3
InChIKeyRUMHAUGSVNBFPJ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63059542
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 61432233) is 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline is CCNC(C)c1ccc(N(C)CC2CCCCO2)c(F)c1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is RUMHAUGSVNBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-13(2)14-8-9-17(16(18)11-14)20(3)12-15-7-5-6-10-21-15/h8-9,11,13,15,19H,4-7,10,12H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 294.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 61432233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).