1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine

C12H14F3NO — CID 43150354

IUPAC1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-7(16)9-6-10(9)8-4-2-3-5-11(8)17-12(13,14)15/h2-5,7,9-10H,6,16H2,1H3
InChIKeyVJELBKBGSDAXGS-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine

1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine (PubChem CID 43150354) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
PubChem CID43150354
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-7(16)9-6-10(9)8-4-2-3-5-11(8)17-12(13,14)15/h2-5,7,9-10H,6,16H2,1H3
InChIKeyVJELBKBGSDAXGS-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111772028
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415007
(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 65420822
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64505049
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
1,2-dimethyl-3-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine;hydroiodide
CID 111464814

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine (CID 43150354) is 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine is CC(N)C1CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is VJELBKBGSDAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7(16)9-6-10(9)8-4-2-3-5-11(8)17-12(13,14)15/h2-5,7,9-10H,6,16H2,1H3.
What are the key properties of 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine?
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 245.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 43150354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).