2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol

C15H22F3NO2 — CID 83921250

IUPAC2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
SMILESCCOc1ccc(C(F)(F)F)cc1C(C)CC(O)C(C)N
InChIInChI=1S/C15H22F3NO2/c1-4-21-14-6-5-11(15(16,17)18)8-12(14)9(2)7-13(20)10(3)19/h5-6,8-10,13,20H,4,7,19H2,1-3H3
InChIKeyILJSBHKLEDIGIO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.31
Rot. Bonds6

About 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol

2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol (PubChem CID 83921250) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
PubChem CID83921250
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
SMILESCCOc1ccc(C(F)(F)F)cc1C(C)CC(O)C(C)N
InChIInChI=1S/C15H22F3NO2/c1-4-21-14-6-5-11(15(16,17)18)8-12(14)9(2)7-13(20)10(3)19/h5-6,8-10,13,20H,4,7,19H2,1-3H3
InChIKeyILJSBHKLEDIGIO-UHFFFAOYSA-N
XLogP3.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
CID 83921180
1-ethoxy-2-hept-4-yn-2-yl-4-(trifluoromethyl)benzene
CID 83921221
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
CID 83936683
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
6-(4-ethoxy-3-propan-2-ylphenyl)heptane-3,4-diol
CID 83935306
(1S,2R)-1-amino-1-[2,5-bis(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171269411

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol?
The IUPAC name of 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol (CID 83921250) is 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol.
What is the SMILES notation for 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol?
The canonical SMILES for 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol is CCOc1ccc(C(F)(F)F)cc1C(C)CC(O)C(C)N.
What is the InChIKey of 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol?
The InChIKey is ILJSBHKLEDIGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-4-21-14-6-5-11(15(16,17)18)8-12(14)9(2)7-13(20)10(3)19/h5-6,8-10,13,20H,4,7,19H2,1-3H3.
What are the key properties of 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol?
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol has a molecular weight of 305.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol is sourced from PubChem (CID 83921250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).