4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline

C10H15FN2 — CID 83383940

IUPAC4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
SMILESCC(N)c1ccc(N(C)C)cc1F
InChIInChI=1S/C10H15FN2/c1-7(12)9-5-4-8(13(2)3)6-10(9)11/h4-7H,12H2,1-3H3
InChIKeyAGUNSZSJXBHPTA-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.91
Rot. Bonds2

About 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline

4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline (PubChem CID 83383940) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
PubChem CID83383940
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
SMILESCC(N)c1ccc(N(C)C)cc1F
InChIInChI=1S/C10H15FN2/c1-7(12)9-5-4-8(13(2)3)6-10(9)11/h4-7H,12H2,1-3H3
InChIKeyAGUNSZSJXBHPTA-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
CID 83381571
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine
CID 90415150
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
CID 79603983
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline (CID 83383940) is 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline is CC(N)c1ccc(N(C)C)cc1F.
What is the InChIKey of 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline?
The InChIKey is AGUNSZSJXBHPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(12)9-5-4-8(13(2)3)6-10(9)11/h4-7H,12H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline?
4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline has a molecular weight of 182.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 83383940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).