4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C16H20FN3 — CID 78934572

IUPAC4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESC[C@H](N)c1ccc(N(C)CCc2ccncc2)c(F)c1
InChIInChI=1S/C16H20FN3/c1-12(18)14-3-4-16(15(17)11-14)20(2)10-7-13-5-8-19-9-6-13/h3-6,8-9,11-12H,7,10,18H2,1-2H3/t12-/m0/s1
InChIKeyWFQRWAJCGMIVFD-LBPRGKRZSA-N
MW273.36 g/mol
LogP2.92
Rot. Bonds5

About 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 78934572) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID78934572
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESC[C@H](N)c1ccc(N(C)CCc2ccncc2)c(F)c1
InChIInChI=1S/C16H20FN3/c1-12(18)14-3-4-16(15(17)11-14)20(2)10-7-13-5-8-19-9-6-13/h3-6,8-9,11-12H,7,10,18H2,1-2H3/t12-/m0/s1
InChIKeyWFQRWAJCGMIVFD-LBPRGKRZSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(chloromethyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 54944105
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82971650
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 78934605

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 78934572) is 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is C[C@H](N)c1ccc(N(C)CCc2ccncc2)c(F)c1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is WFQRWAJCGMIVFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12(18)14-3-4-16(15(17)11-14)20(2)10-7-13-5-8-19-9-6-13/h3-6,8-9,11-12H,7,10,18H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 273.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 78934572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).