4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline

C13H21FN2 — CID 43265907

IUPAC4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
SMILESCCN(c1ccc(C(C)N)cc1F)C(C)C
InChIInChI=1S/C13H21FN2/c1-5-16(9(2)3)13-7-6-11(10(4)15)8-12(13)14/h6-10H,5,15H2,1-4H3
InChIKeyCDGGRSKGLLUGHK-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.08
Rot. Bonds4

About 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline

4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline (PubChem CID 43265907) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
PubChem CID43265907
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
SMILESCCN(c1ccc(C(C)N)cc1F)C(C)C
InChIInChI=1S/C13H21FN2/c1-5-16(9(2)3)13-7-6-11(10(4)15)8-12(13)14/h6-10H,5,15H2,1-4H3
InChIKeyCDGGRSKGLLUGHK-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935421
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline?
The IUPAC name of 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline (CID 43265907) is 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline is CCN(c1ccc(C(C)N)cc1F)C(C)C.
What is the InChIKey of 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline?
The InChIKey is CDGGRSKGLLUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-16(9(2)3)13-7-6-11(10(4)15)8-12(13)14/h6-10H,5,15H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline?
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline has a molecular weight of 224.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline is sourced from PubChem (CID 43265907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).