5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol

C14H20F3NO2 — CID 82982580

IUPAC5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
SMILESCCCN(CC(F)(F)F)C(C)c1ccc(OC)cc1O
InChIInChI=1S/C14H20F3NO2/c1-4-7-18(9-14(15,16)17)10(2)12-6-5-11(20-3)8-13(12)19/h5-6,8,10,19H,4,7,9H2,1-3H3
InChIKeyBPOWMHUIWCMFPS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.74
Rot. Bonds6

About 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol

5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol (PubChem CID 82982580) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
PubChem CID82982580
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
SMILESCCCN(CC(F)(F)F)C(C)c1ccc(OC)cc1O
InChIInChI=1S/C14H20F3NO2/c1-4-7-18(9-14(15,16)17)10(2)12-6-5-11(20-3)8-13(12)19/h5-6,8,10,19H,4,7,9H2,1-3H3
InChIKeyBPOWMHUIWCMFPS-UHFFFAOYSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]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

5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982095
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264175
4-methoxy-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982576
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-5-methoxyphenol
CID 171200659
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol (CID 82982580) is 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol is CCCN(CC(F)(F)F)C(C)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
The InChIKey is BPOWMHUIWCMFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-4-7-18(9-14(15,16)17)10(2)12-6-5-11(20-3)8-13(12)19/h5-6,8,10,19H,4,7,9H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol has a molecular weight of 291.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol is sourced from PubChem (CID 82982580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).