5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride

C15H15ClFNO — CID 162321777

IUPAC5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C15H14FNO.ClH/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17;/h1-7,12,14,18H,8,17H2;1H/t12-,14+;/m1./s1
InChIKeyXBMAMOYBJTUONE-OJMBIDBESA-N
MW279.74 g/mol
LogP3.43
Rot. Bonds2

About 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride

5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride (PubChem CID 162321777) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride
PubChem CID162321777
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C15H14FNO.ClH/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17;/h1-7,12,14,18H,8,17H2;1H/t12-,14+;/m1./s1
InChIKeyXBMAMOYBJTUONE-OJMBIDBESA-N
XLogP3.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

OG-L002
CID 56639570
3-(2-Aminoethyl)phenol hydrochloride
CID 77001
3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride
CID 44572807
3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride
CID 45264269
trans-(1S,2R)-2-[2,5-difluoro-4-(3-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 168272941
cis-(1R,2R)-2-[2,5-difluoro-4-(3-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 168286585
3-[4-[(1S,2S)-2-aminocyclopropyl]phenyl]phenol
CID 118878455
US9676701, 66 4'-((trans)-2-aminocyclopropyl)-4-fluorobiphenyl-3-ol hydrochloride
CID 66714768
rel-4-((1R,2S)-2-Aminocyclopropyl)phenol
CID 128670
3-(2-Aminopropyl)phenol hydrochloride
CID 21932867
alpha-Ethyl-3-hydroxy-4-methylphenethylamine hydrochloride
CID 2723919
4-((1R,2S)-Rel-2-aminocyclopropyl)phenol
CID 89518658

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride (CID 162321777) is 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride is Cl.N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1.
What is the InChIKey of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
The InChIKey is XBMAMOYBJTUONE-OJMBIDBESA-N. The full InChI is InChI=1S/C15H14FNO.ClH/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17;/h1-7,12,14,18H,8,17H2;1H/t12-,14+;/m1./s1.
What are the key properties of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride has a molecular weight of 279.74 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 162321777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).