N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline

C13H21FN2O — CID 63060724

IUPACN-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCCN(C)c1ccc(CNCCOC)cc1F
InChIInChI=1S/C13H21FN2O/c1-4-16(2)13-6-5-11(9-12(13)14)10-15-7-8-17-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyPIQNWCKANPEGAV-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.02
Rot. Bonds7

About N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline

N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 63060724) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID63060724
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCCN(C)c1ccc(CNCCOC)cc1F
InChIInChI=1S/C13H21FN2O/c1-4-16(2)13-6-5-11(9-12(13)14)10-15-7-8-17-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyPIQNWCKANPEGAV-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060260
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
CID 114062703
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 63060724) is N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline is CCN(C)c1ccc(CNCCOC)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is PIQNWCKANPEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-16(2)13-6-5-11(9-12(13)14)10-15-7-8-17-3/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 240.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63060724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).