2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline

C13H21FN2O — CID 78934827

IUPAC2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C13H21FN2O/c1-4-16(7-8-17-3)13-6-5-11(14)9-12(13)10(2)15/h5-6,9-10H,4,7-8,15H2,1-3H3/t10-/m1/s1
InChIKeyDQZYHLHLNAGGLU-SNVBAGLBSA-N
MW240.32 g/mol
LogP2.32
Rot. Bonds6

About 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline

2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline (PubChem CID 78934827) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
PubChem CID78934827
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C13H21FN2O/c1-4-16(7-8-17-3)13-6-5-11(14)9-12(13)10(2)15/h5-6,9-10H,4,7-8,15H2,1-3H3/t10-/m1/s1
InChIKeyDQZYHLHLNAGGLU-SNVBAGLBSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline (CID 78934827) is 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline is CCN(CCOC)c1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline?
The InChIKey is DQZYHLHLNAGGLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-16(7-8-17-3)13-6-5-11(14)9-12(13)10(2)15/h5-6,9-10H,4,7-8,15H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline?
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline has a molecular weight of 240.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 78934827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).