4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline

C10H15FN2 — CID 43188895

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

About 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline

4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline (PubChem CID 43188895) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
PubChem CID43188895
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
SMILESCC(N)c1ccc(N(C)C)c(F)c1
InChIInChI=1S/C10H15FN2/c1-7(12)8-4-5-10(13(2)3)9(11)6-8/h4-7H,12H2,1-3H3
InChIKeyKIJNDCUOIOUWGZ-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

4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935421
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
4-[4-(1-aminoethyl)-2-fluoro-N-methylanilino]benzonitrile
CID 62970389
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline (CID 43188895) is 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline is CC(N)c1ccc(N(C)C)c(F)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline?
The InChIKey is KIJNDCUOIOUWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(12)8-4-5-10(13(2)3)9(11)6-8/h4-7H,12H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline?
4-(1-aminoethyl)-2-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)-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 43188895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).