1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine

C12H16F3NO — CID 64566554

IUPAC1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-9(16)7-10-3-2-4-11(8-10)17-6-5-12(13,14)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyFAPOSSKTJKNLTL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.91
Rot. Bonds5

About 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine

1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine (PubChem CID 64566554) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
PubChem CID64566554
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-9(16)7-10-3-2-4-11(8-10)17-6-5-12(13,14)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyFAPOSSKTJKNLTL-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
1-[3-(2-propan-2-ylsulfanylethoxy)phenyl]propan-2-amine
CID 114268788
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64564905
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
1-(3-pent-3-ynoxyphenyl)propan-2-amine
CID 104807762
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64565529
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine (CID 64566554) is 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(OCCC(F)(F)F)c1.
What is the InChIKey of 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The InChIKey is FAPOSSKTJKNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-9(16)7-10-3-2-4-11(8-10)17-6-5-12(13,14)15/h2-4,8-9H,5-7,16H2,1H3.
What are the key properties of 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 64566554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).