2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol

C20H24F3NO2 — CID 71277035

IUPAC2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
SMILESCOc1cc(CCC(C)(C)NCc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C20H24F3NO2/c1-19(2,11-10-14-6-9-17(25)18(12-14)26-3)24-13-15-4-7-16(8-5-15)20(21,22)23/h4-9,12,24-25H,10-11,13H2,1-3H3
InChIKeyNJBPYMPNBUEWBH-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.92
Rot. Bonds7

About 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol

2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol (PubChem CID 71277035) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
PubChem CID71277035
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
SMILESCOc1cc(CCC(C)(C)NCc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C20H24F3NO2/c1-19(2,11-10-14-6-9-17(25)18(12-14)26-3)24-13-15-4-7-16(8-5-15)20(21,22)23/h4-9,12,24-25H,10-11,13H2,1-3H3
InChIKeyNJBPYMPNBUEWBH-UHFFFAOYSA-N
XLogP4.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69018228
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
CID 71276956
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
CID 144539772
ethane;2-methoxy-4-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 144539777
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 146422502
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The IUPAC name of 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol (CID 71277035) is 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The canonical SMILES for 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol is COc1cc(CCC(C)(C)NCc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The InChIKey is NJBPYMPNBUEWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-19(2,11-10-14-6-9-17(25)18(12-14)26-3)24-13-15-4-7-16(8-5-15)20(21,22)23/h4-9,12,24-25H,10-11,13H2,1-3H3.
What are the key properties of 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol has a molecular weight of 367.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol is sourced from PubChem (CID 71277035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).