trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride

C12H15ClF3NO — CID 118483897

IUPACtrans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCC[C@@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3NO.ClH/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)17-12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11-;/m1./s1
InChIKeyOIVOGNGBKMUQJW-NDXYWBNTSA-N
MW281.71 g/mol
LogP3.60
Rot. Bonds3

About trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride

trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 118483897) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID118483897
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Nametrans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCC[C@@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3NO.ClH/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)17-12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11-;/m1./s1
InChIKeyOIVOGNGBKMUQJW-NDXYWBNTSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 118483898
2-(4-bromophenyl)-1-ethylcyclopropan-1-amine
CID 84701862
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 118730209
2-phenyl-1-[[1-[4-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]cyclopropan-1-amine
CID 142796806
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine
CID 118732679
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19746989
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride (CID 118483897) is trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride is CC[C@@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is OIVOGNGBKMUQJW-NDXYWBNTSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)17-12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11-;/m1./s1.
What are the key properties of trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118483897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).