2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol

C11H17FN2O — CID 78934460

IUPAC2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
SMILESC[C@H](N)c1ccc(N(C)CCO)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-8(13)9-3-4-11(10(12)7-9)14(2)5-6-15/h3-4,7-8,15H,5-6,13H2,1-2H3/t8-/m0/s1
InChIKeyNUGOZAMCXBTBLP-QMMMGPOBSA-N
MW212.27 g/mol
LogP1.27
Rot. Bonds4

About 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol

2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol (PubChem CID 78934460) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
PubChem CID78934460
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
SMILESC[C@H](N)c1ccc(N(C)CCO)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-8(13)9-3-4-11(10(12)7-9)14(2)5-6-15/h3-4,7-8,15H,5-6,13H2,1-2H3/t8-/m0/s1
InChIKeyNUGOZAMCXBTBLP-QMMMGPOBSA-N
XLogP1.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 78934572
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804
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
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol (CID 78934460) is 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol is C[C@H](N)c1ccc(N(C)CCO)c(F)c1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol?
The InChIKey is NUGOZAMCXBTBLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8(13)9-3-4-11(10(12)7-9)14(2)5-6-15/h3-4,7-8,15H,5-6,13H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol?
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol has a molecular weight of 212.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol is sourced from PubChem (CID 78934460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).