2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol

C17H24F3NO3 — CID 111332801

IUPAC2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
SMILESCCOc1cc(CNC2CCCCC2O)ccc1OCC(F)(F)F
InChIInChI=1S/C17H24F3NO3/c1-2-23-16-9-12(7-8-15(16)24-11-17(18,19)20)10-21-13-5-3-4-6-14(13)22/h7-9,13-14,21-22H,2-6,10-11H2,1H3
InChIKeyOEEYXXVKBQEBMY-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.42
Rot. Bonds7

About 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol

2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 111332801) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
PubChem CID111332801
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
SMILESCCOc1cc(CNC2CCCCC2O)ccc1OCC(F)(F)F
InChIInChI=1S/C17H24F3NO3/c1-2-23-16-9-12(7-8-15(16)24-11-17(18,19)20)10-21-13-5-3-4-6-14(13)22/h7-9,13-14,21-22H,2-6,10-11H2,1H3
InChIKeyOEEYXXVKBQEBMY-UHFFFAOYSA-N
XLogP3.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
CID 119106660
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119106703
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119123734
N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
CID 170995014
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172
1-cyclohexyl-3-[(3,4-diethoxyphenyl)methyl]thiourea
CID 17267900
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol (CID 111332801) is 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol is CCOc1cc(CNC2CCCCC2O)ccc1OCC(F)(F)F.
What is the InChIKey of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is OEEYXXVKBQEBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-2-23-16-9-12(7-8-15(16)24-11-17(18,19)20)10-21-13-5-3-4-6-14(13)22/h7-9,13-14,21-22H,2-6,10-11H2,1H3.
What are the key properties of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol?
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 347.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 111332801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).