1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine

C11H14F3NO — CID 43197123

IUPAC1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCCOc1ccc(C(N)CC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-2-16-9-5-3-8(4-6-9)10(15)7-11(12,13)14/h3-6,10H,2,7,15H2,1H3
InChIKeyXTEUQZNZJAUXGG-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine

1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43197123) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID43197123
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCCOc1ccc(C(N)CC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-2-16-9-5-3-8(4-6-9)10(15)7-11(12,13)14/h3-6,10H,2,7,15H2,1H3
InChIKeyXTEUQZNZJAUXGG-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine;hydrochloride
CID 171234453
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
(3S)-3-amino-3-(4-ethoxyphenyl)propanenitrile
CID 95436607
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
amino-(4-ethoxyphenyl)methanol
CID 116939610
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
4-(1-amino-3,3,3-trifluoropropyl)benzonitrile
CID 122174182

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine (CID 43197123) is 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine is CCOc1ccc(C(N)CC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is XTEUQZNZJAUXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-16-9-5-3-8(4-6-9)10(15)7-11(12,13)14/h3-6,10H,2,7,15H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43197123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).