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

C11H17FN2 — CID 63368247

IUPAC4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
SMILESCCN(C)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C11H17FN2/c1-4-14(3)11-6-5-9(8(2)13)7-10(11)12/h5-8H,4,13H2,1-3H3/t8-/m1/s1
InChIKeyFLHOYWDHQVTHIA-MRVPVSSYSA-N
MW196.27 g/mol
LogP2.30
Rot. Bonds3

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

4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline (PubChem CID 63368247) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
PubChem CID63368247
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
SMILESCCN(C)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C11H17FN2/c1-4-14(3)11-6-5-9(8(2)13)7-10(11)12/h5-8H,4,13H2,1-3H3/t8-/m1/s1
InChIKeyFLHOYWDHQVTHIA-MRVPVSSYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935421
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline (CID 63368247) is 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline is CCN(C)c1ccc([C@@H](C)N)cc1F.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline?
The InChIKey is FLHOYWDHQVTHIA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-14(3)11-6-5-9(8(2)13)7-10(11)12/h5-8H,4,13H2,1-3H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline?
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline has a molecular weight of 196.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline is sourced from PubChem (CID 63368247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).