5-fluoro-2-[1-(propylamino)ethyl]phenol

C11H16FNO — CID 63064581

IUPAC5-fluoro-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(F)cc1O
InChIInChI=1S/C11H16FNO/c1-3-6-13-8(2)10-5-4-9(12)7-11(10)14/h4-5,7-8,13-14H,3,6H2,1-2H3
InChIKeyBTMRYAJUUIJRKF-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.59
Rot. Bonds4

About 5-fluoro-2-[1-(propylamino)ethyl]phenol

5-fluoro-2-[1-(propylamino)ethyl]phenol (PubChem CID 63064581) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(propylamino)ethyl]phenol
PubChem CID63064581
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(F)cc1O
InChIInChI=1S/C11H16FNO/c1-3-6-13-8(2)10-5-4-9(12)7-11(10)14/h4-5,7-8,13-14H,3,6H2,1-2H3
InChIKeyBTMRYAJUUIJRKF-UHFFFAOYSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 104582209
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(propylamino)ethyl]phenol (CID 63064581) is 5-fluoro-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(propylamino)ethyl]phenol?
The InChIKey is BTMRYAJUUIJRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-6-13-8(2)10-5-4-9(12)7-11(10)14/h4-5,7-8,13-14H,3,6H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(propylamino)ethyl]phenol?
5-fluoro-2-[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 5-fluoro-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 63064581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).