4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline

C16H18ClFN2 — CID 78935511

IUPAC4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-20(14-7-5-13(18)6-8-14)16-9-4-12(11(2)19)10-15(16)17/h4-11H,3,19H2,1-2H3/t11-/m0/s1
InChIKeyNWOMDILZMKBPJP-NSHDSACASA-N
MW292.79 g/mol
LogP4.66
Rot. Bonds4

About 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline

4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline (PubChem CID 78935511) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
PubChem CID78935511
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-20(14-7-5-13(18)6-8-14)16-9-4-12(11(2)19)10-15(16)17/h4-11H,3,19H2,1-2H3/t11-/m0/s1
InChIKeyNWOMDILZMKBPJP-NSHDSACASA-N
XLogP4.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)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

1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935285
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
CID 63532852
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
CID 63533263
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
CID 55191001

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline (CID 78935511) is 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline is CCN(c1ccc(F)cc1)c1ccc([C@H](C)N)cc1Cl.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
The InChIKey is NWOMDILZMKBPJP-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-20(14-7-5-13(18)6-8-14)16-9-4-12(11(2)19)10-15(16)17/h4-11H,3,19H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline has a molecular weight of 292.79 g/mol, XLogP of 4.66, 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]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 78935511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).