2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol

C11H14FNO — CID 97050879

IUPAC2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
SMILESC[C@@H](NC1CC1)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO/c1-7(13-9-3-4-9)10-6-8(12)2-5-11(10)14/h2,5-7,9,13-14H,3-4H2,1H3/t7-/m1/s1
InChIKeyHZKWREHYOGYQRQ-SSDOTTSWSA-N
MW195.24 g/mol
LogP2.34
Rot. Bonds3

About 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol

2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol (PubChem CID 97050879) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
PubChem CID97050879
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
SMILESC[C@@H](NC1CC1)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO/c1-7(13-9-3-4-9)10-6-8(12)2-5-11(10)14/h2,5-7,9,13-14H,3-4H2,1H3/t7-/m1/s1
InChIKeyHZKWREHYOGYQRQ-SSDOTTSWSA-N
XLogP2.34
TPSA32.26 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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
4-fluoro-2-[1-(thian-3-ylamino)ethyl]phenol
CID 104582898
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
1-[4-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]-2,2,2-trifluoroethanone
CID 141123025
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
CID 104581360
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol
CID 104583308

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol?
The IUPAC name of 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol (CID 97050879) is 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol?
The canonical SMILES for 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol is C[C@@H](NC1CC1)c1cc(F)ccc1O.
What is the InChIKey of 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol?
The InChIKey is HZKWREHYOGYQRQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(13-9-3-4-9)10-6-8(12)2-5-11(10)14/h2,5-7,9,13-14H,3-4H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol?
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol is sourced from PubChem (CID 97050879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).