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

C16H18ClFN2 — CID 78935061

IUPAC4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
SMILESCCN(c1ccccc1F)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-20(16-7-5-4-6-14(16)18)15-9-8-12(11(2)19)10-13(15)17/h4-11H,3,19H2,1-2H3/t11-/m0/s1
InChIKeyLFPDMGGWPLSKFB-NSHDSACASA-N
MW292.79 g/mol
LogP4.66
Rot. Bonds4

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

4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline (PubChem CID 78935061) 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-(2-fluorophenyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
PubChem CID78935061
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
SMILESCCN(c1ccccc1F)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-20(16-7-5-4-6-14(16)18)15-9-8-12(11(2)19)10-13(15)17/h4-11H,3,19H2,1-2H3/t11-/m0/s1
InChIKeyLFPDMGGWPLSKFB-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

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Related Compounds

4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 81151857
3-chloro-4-(N-ethyl-2-fluoroanilino)benzonitrile
CID 63509825
(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944650
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline (CID 78935061) is 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline is CCN(c1ccccc1F)c1ccc([C@H](C)N)cc1Cl.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline?
The InChIKey is LFPDMGGWPLSKFB-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-20(16-7-5-4-6-14(16)18)15-9-8-12(11(2)19)10-13(15)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-(2-fluorophenyl)aniline?
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-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-(2-fluorophenyl)aniline is sourced from PubChem (CID 78935061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).