2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine

C13H16F3NO — CID 115854106

IUPAC2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCC(C1CC1)C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-8(9-5-6-9)12(17)10-3-2-4-11(7-10)18-13(14,15)16/h2-4,7-9,12H,5-6,17H2,1H3
InChIKeyXMFODJRDJCKHFQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.63
Rot. Bonds4

About 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine

2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 115854106) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID115854106
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCC(C1CC1)C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-8(9-5-6-9)12(17)10-3-2-4-11(7-10)18-13(14,15)16/h2-4,7-9,12H,5-6,17H2,1H3
InChIKeyXMFODJRDJCKHFQ-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
(1R,2S)-1-amino-5-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-2-ol
CID 171264181
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (CID 115854106) is 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine is CC(C1CC1)C(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is XMFODJRDJCKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-8(9-5-6-9)12(17)10-3-2-4-11(7-10)18-13(14,15)16/h2-4,7-9,12H,5-6,17H2,1H3.
What are the key properties of 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 115854106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).