4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol

C13H18FNO — CID 29038955

IUPAC4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
SMILESC[C@H](NC1CCCC1)c1ccc(O)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9(15-11-4-2-3-5-11)10-6-7-13(16)12(14)8-10/h6-9,11,15-16H,2-5H2,1H3/t9-/m0/s1
InChIKeyOTXXWTOZDIDVPA-VIFPVBQESA-N
MW223.29 g/mol
LogP3.12
Rot. Bonds3

About 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol

4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol (PubChem CID 29038955) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
PubChem CID29038955
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
SMILESC[C@H](NC1CCCC1)c1ccc(O)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9(15-11-4-2-3-5-11)10-6-7-13(16)12(14)8-10/h6-9,11,15-16H,2-5H2,1H3/t9-/m0/s1
InChIKeyOTXXWTOZDIDVPA-VIFPVBQESA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
CID 29038584
N-[(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]cyclohexanamine
CID 29038742
N-[(1S)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclohexanamine
CID 29038653
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine
CID 29038637
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol?
The IUPAC name of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol (CID 29038955) is 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol?
The canonical SMILES for 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol is C[C@H](NC1CCCC1)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol?
The InChIKey is OTXXWTOZDIDVPA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(15-11-4-2-3-5-11)10-6-7-13(16)12(14)8-10/h6-9,11,15-16H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol?
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol has a molecular weight of 223.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol is sourced from PubChem (CID 29038955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).