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

C19H22F3NO2 — CID 66731659

IUPAC2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
SMILESCOc1cc(CCC(C)NCc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H22F3NO2/c1-13(3-4-14-7-10-17(24)18(11-14)25-2)23-12-15-5-8-16(9-6-15)19(20,21)22/h5-11,13,23-24H,3-4,12H2,1-2H3
InChIKeyJWMMMNZRBWMHKZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.53
Rot. Bonds7

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

2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol (PubChem CID 66731659) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
PubChem CID66731659
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
SMILESCOc1cc(CCC(C)NCc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H22F3NO2/c1-13(3-4-14-7-10-17(24)18(11-14)25-2)23-12-15-5-8-16(9-6-15)19(20,21)22/h5-11,13,23-24H,3-4,12H2,1-2H3
InChIKeyJWMMMNZRBWMHKZ-UHFFFAOYSA-N
XLogP4.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The IUPAC name of 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol (CID 66731659) is 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The canonical SMILES for 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol is COc1cc(CCC(C)NCc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The InChIKey is JWMMMNZRBWMHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2/c1-13(3-4-14-7-10-17(24)18(11-14)25-2)23-12-15-5-8-16(9-6-15)19(20,21)22/h5-11,13,23-24H,3-4,12H2,1-2H3.
What are the key properties of 2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
2-methoxy-4-[3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol has a molecular weight of 353.38 g/mol, XLogP of 4.53, 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-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol is sourced from PubChem (CID 66731659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).