3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline

C9H13FN2 — CID 130738450

IUPAC3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
SMILESCN[C@H](C)c1c(N)cccc1F
InChIInChI=1S/C9H13FN2/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,11H2,1-2H3/t6-/m1/s1
InChIKeyHLELRLUDZYCDIK-ZCFIWIBFSA-N
MW168.22 g/mol
LogP1.69
Rot. Bonds2

About 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline

3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline (PubChem CID 130738450) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
PubChem CID130738450
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
SMILESCN[C@H](C)c1c(N)cccc1F
InChIInChI=1S/C9H13FN2/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,11H2,1-2H3/t6-/m1/s1
InChIKeyHLELRLUDZYCDIK-ZCFIWIBFSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140
2-(2-amino-6-fluorophenyl)propanenitrile
CID 130135319
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286543
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
3-(2,6-difluorophenyl)-N-methylbutan-2-amine
CID 66437420
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286290
N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284569
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 43286360

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline?
The IUPAC name of 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline (CID 130738450) is 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline.
What is the SMILES notation for 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline?
The canonical SMILES for 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline is CN[C@H](C)c1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline?
The InChIKey is HLELRLUDZYCDIK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13FN2/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline?
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline has a molecular weight of 168.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline is sourced from PubChem (CID 130738450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).