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

C11H16FNO — CID 29080220

IUPAC2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
SMILESCCCN[C@H](C)c1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO/c1-3-6-13-8(2)9-4-5-11(14)10(12)7-9/h4-5,7-8,13-14H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyUVDUOVKZHMHVER-MRVPVSSYSA-N
MW197.25 g/mol
LogP2.59
Rot. Bonds4

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

2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol (PubChem CID 29080220) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
PubChem CID29080220
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
SMILESCCCN[C@H](C)c1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO/c1-3-6-13-8(2)9-4-5-11(14)10(12)7-9/h4-5,7-8,13-14H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyUVDUOVKZHMHVER-MRVPVSSYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106669966
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol?
The IUPAC name of 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol (CID 29080220) is 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol is CCCN[C@H](C)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol?
The InChIKey is UVDUOVKZHMHVER-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-6-13-8(2)9-4-5-11(14)10(12)7-9/h4-5,7-8,13-14H,3,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol?
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol has a molecular weight of 197.25 g/mol, XLogP of 2.59, 4 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-(propylamino)ethyl]phenol is sourced from PubChem (CID 29080220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).