3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol

C14H20F3NO2 — CID 111422011

IUPAC3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-10(2)13(19)8-18-7-11-3-5-12(6-4-11)20-9-14(15,16)17/h3-6,10,13,18-19H,7-9H2,1-2H3
InChIKeyZDHMIBFQCFOONJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.73
Rot. Bonds7

About 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol

3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol (PubChem CID 111422011) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol
PubChem CID111422011
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-10(2)13(19)8-18-7-11-3-5-12(6-4-11)20-9-14(15,16)17/h3-6,10,13,18-19H,7-9H2,1-2H3
InChIKeyZDHMIBFQCFOONJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol with MolForge

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Related Compounds

1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
CID 110009803
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 109481996
3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114249399
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol (CID 111422011) is 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol is CC(C)C(O)CNCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol?
The InChIKey is ZDHMIBFQCFOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10(2)13(19)8-18-7-11-3-5-12(6-4-11)20-9-14(15,16)17/h3-6,10,13,18-19H,7-9H2,1-2H3.
What are the key properties of 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol?
3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 111422011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).