[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine

C16H24F3NO — CID 63484790

IUPAC[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCCCC(CC)COc1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-3-5-6-12(4-2)11-21-15-8-7-13(10-20)9-14(15)16(17,18)19/h7-9,12H,3-6,10-11,20H2,1-2H3
InChIKeyQFAZEHVTVPVYDE-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.76
Rot. Bonds8

About [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine

[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 63484790) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID63484790
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCCCC(CC)COc1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-3-5-6-12(4-2)11-21-15-8-7-13(10-20)9-14(15)16(17,18)19/h7-9,12H,3-6,10-11,20H2,1-2H3
InChIKeyQFAZEHVTVPVYDE-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763
1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
CID 43128566
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]butan-2-amine
CID 63320732
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine (CID 63484790) is [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine is CCCCC(CC)COc1ccc(CN)cc1C(F)(F)F.
What is the InChIKey of [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QFAZEHVTVPVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-5-6-12(4-2)11-21-15-8-7-13(10-20)9-14(15)16(17,18)19/h7-9,12H,3-6,10-11,20H2,1-2H3.
What are the key properties of [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine?
[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.37 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 63484790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).