2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol

C9H12FNO — CID 29038942

IUPAC2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
SMILESCN[C@H](C)c1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO/c1-6(11-2)7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3/t6-/m1/s1
InChIKeyXGSRFGBPRMNOER-ZCFIWIBFSA-N
MW169.20 g/mol
LogP1.81
Rot. Bonds2

About 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol

2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol (PubChem CID 29038942) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
PubChem CID29038942
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
SMILESCN[C@H](C)c1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO/c1-6(11-2)7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3/t6-/m1/s1
InChIKeyXGSRFGBPRMNOER-ZCFIWIBFSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
CID 82540521
2-fluoro-4-[(1S)-1-(methylamino)ethyl]benzoic acid
CID 131163051
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
CID 29038955
1-(3-fluoro-4-propan-2-ylsulfanylphenyl)-N-methylethanamine
CID 60884307
1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089
2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276012
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
2-fluoro-6-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 55276230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol?
The IUPAC name of 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol (CID 29038942) is 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol is CN[C@H](C)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol?
The InChIKey is XGSRFGBPRMNOER-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(11-2)7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3/t6-/m1/s1.
What are the key properties of 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol?
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol has a molecular weight of 169.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol is sourced from PubChem (CID 29038942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).