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

C19H22F3NO2 — CID 71277050

IUPAC2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
SMILESCOc1cc(CC[C@H](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/t13-/m0/s1
InChIKeyJWMMMNZRBWMHKZ-ZDUSSCGKSA-N
MW353.38 g/mol
LogP4.53
Rot. Bonds7

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

2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol (PubChem CID 71277050) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
PubChem CID71277050
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
SMILESCOc1cc(CC[C@H](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/t13-/m0/s1
InChIKeyJWMMMNZRBWMHKZ-ZDUSSCGKSA-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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Related Compounds

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-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277035
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
4-[3-[2-(3,4-dichlorophenyl)propan-2-ylamino]butyl]-2-methoxyphenol
CID 71276995
2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69018228
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
CID 147848254
4-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 83188266

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The IUPAC name of 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol (CID 71277050) is 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol is COc1cc(CC[C@H](C)NCc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
The InChIKey is JWMMMNZRBWMHKZ-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol?
2-methoxy-4-[(3S)-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-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol is sourced from PubChem (CID 71277050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).