4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline

C17H21FN2 — CID 78934620

IUPAC4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
SMILESCCN(c1cccc(C)c1)c1ccc([C@H](C)N)cc1F
InChIInChI=1S/C17H21FN2/c1-4-20(15-7-5-6-12(2)10-15)17-9-8-14(13(3)19)11-16(17)18/h5-11,13H,4,19H2,1-3H3/t13-/m0/s1
InChIKeyKBBTVOMMFYZHBC-ZDUSSCGKSA-N
MW272.37 g/mol
LogP4.31
Rot. Bonds4

About 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline

4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline (PubChem CID 78934620) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
PubChem CID78934620
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
SMILESCCN(c1cccc(C)c1)c1ccc([C@H](C)N)cc1F
InChIInChI=1S/C17H21FN2/c1-4-20(15-7-5-6-12(2)10-15)17-9-8-14(13(3)19)11-16(17)18/h5-11,13H,4,19H2,1-3H3/t13-/m0/s1
InChIKeyKBBTVOMMFYZHBC-ZDUSSCGKSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)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-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
CID 64585981
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
CID 63370665
(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
CID 63371105
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098
4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
CID 55191001
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline (CID 78934620) is 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline is CCN(c1cccc(C)c1)c1ccc([C@H](C)N)cc1F.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline?
The InChIKey is KBBTVOMMFYZHBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-20(15-7-5-6-12(2)10-15)17-9-8-14(13(3)19)11-16(17)18/h5-11,13H,4,19H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline?
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline has a molecular weight of 272.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline is sourced from PubChem (CID 78934620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).