2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline

C13H21FN2S — CID 112666798

IUPAC2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCSCC(C)N(C)c1ccc(F)cc1CCN
InChIInChI=1S/C13H21FN2S/c1-10(9-17-3)16(2)13-5-4-12(14)8-11(13)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeySFNLPRMTQVCBRM-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline

2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline (PubChem CID 112666798) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
PubChem CID112666798
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCSCC(C)N(C)c1ccc(F)cc1CCN
InChIInChI=1S/C13H21FN2S/c1-10(9-17-3)16(2)13-5-4-12(14)8-11(13)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeySFNLPRMTQVCBRM-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 107085011
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657072
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660621
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79489813
2-(bromomethyl)-N-butan-2-yl-4-fluoro-N-methylaniline
CID 107080047
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660633
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline (CID 112666798) is 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline is CSCC(C)N(C)c1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline?
The InChIKey is SFNLPRMTQVCBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-10(9-17-3)16(2)13-5-4-12(14)8-11(13)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline?
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline has a molecular weight of 256.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline is sourced from PubChem (CID 112666798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).