3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol

C11H14FNO — CID 130657885

IUPAC3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
SMILESN[C@@H](CC1CC1)c1cc(O)cc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-4-8(5-10(14)6-9)11(13)3-7-1-2-7/h4-7,11,14H,1-3,13H2/t11-/m0/s1
InChIKeyHIOKKNGBDCMQRR-NSHDSACASA-N
MW195.24 g/mol
LogP2.33
Rot. Bonds3

About 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol

3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol (PubChem CID 130657885) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
PubChem CID130657885
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
SMILESN[C@@H](CC1CC1)c1cc(O)cc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-4-8(5-10(14)6-9)11(13)3-7-1-2-7/h4-7,11,14H,1-3,13H2/t11-/m0/s1
InChIKeyHIOKKNGBDCMQRR-NSHDSACASA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
3-(1-aminopropyl)-5-fluorophenol
CID 55283681
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-[(1R)-1-amino-2-cyclopropylethyl]benzene-1,3,5-triol;hydrochloride
CID 171217038
4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197816
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
CID 130820768
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol?
The IUPAC name of 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol (CID 130657885) is 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol.
What is the SMILES notation for 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol?
The canonical SMILES for 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol is N[C@@H](CC1CC1)c1cc(O)cc(F)c1.
What is the InChIKey of 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol?
The InChIKey is HIOKKNGBDCMQRR-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-4-8(5-10(14)6-9)11(13)3-7-1-2-7/h4-7,11,14H,1-3,13H2/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol?
3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol is sourced from PubChem (CID 130657885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).