6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine

C16H24F3NO — CID 83921161

IUPAC6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
SMILESCCOc1ccc(C(F)(F)F)cc1CCCC(N)C(C)C
InChIInChI=1S/C16H24F3NO/c1-4-21-15-9-8-13(16(17,18)19)10-12(15)6-5-7-14(20)11(2)3/h8-11,14H,4-7,20H2,1-3H3
InChIKeyMXTQXJCODWSKTP-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.41
Rot. Bonds7

About 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine

6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine (PubChem CID 83921161) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
PubChem CID83921161
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
SMILESCCOc1ccc(C(F)(F)F)cc1CCCC(N)C(C)C
InChIInChI=1S/C16H24F3NO/c1-4-21-15-9-8-13(16(17,18)19)10-12(15)6-5-7-14(20)11(2)3/h8-11,14H,4-7,20H2,1-3H3
InChIKeyMXTQXJCODWSKTP-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine?
The IUPAC name of 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine (CID 83921161) is 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine.
What is the SMILES notation for 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine?
The canonical SMILES for 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine is CCOc1ccc(C(F)(F)F)cc1CCCC(N)C(C)C.
What is the InChIKey of 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine?
The InChIKey is MXTQXJCODWSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-4-21-15-9-8-13(16(17,18)19)10-12(15)6-5-7-14(20)11(2)3/h8-11,14H,4-7,20H2,1-3H3.
What are the key properties of 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine?
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine has a molecular weight of 303.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine is sourced from PubChem (CID 83921161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).