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

C10H15FN2 — CID 43188896

IUPAC2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
SMILESCC(N)c1cc(F)ccc1N(C)C
InChIInChI=1S/C10H15FN2/c1-7(12)9-6-8(11)4-5-10(9)13(2)3/h4-7H,12H2,1-3H3
InChIKeyAXTDJCWTDXAMFC-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.91
Rot. Bonds2

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

2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline (PubChem CID 43188896) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
PubChem CID43188896
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
SMILESCC(N)c1cc(F)ccc1N(C)C
InChIInChI=1S/C10H15FN2/c1-7(12)9-6-8(11)4-5-10(9)13(2)3/h4-7H,12H2,1-3H3
InChIKeyAXTDJCWTDXAMFC-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

2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570188
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
2-[(1S)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870073
2-[(1R)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870060
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
CID 63368290
2-N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189397
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63368936
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline (CID 43188896) is 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline is CC(N)c1cc(F)ccc1N(C)C.
What is the InChIKey of 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline?
The InChIKey is AXTDJCWTDXAMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(12)9-6-8(11)4-5-10(9)13(2)3/h4-7H,12H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline?
2-(1-aminoethyl)-4-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 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 43188896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).