cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

C12H14F3N — CID 90212559

IUPACcis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,2,7,16H2,1H3/t10-,11+/m0/s1
InChIKeyVJBZUQSLIWXRQB-WDEREUQCSA-N
MW229.25 g/mol
LogP3.30
Rot. Bonds2

About cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 90212559) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID90212559
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Namecis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,2,7,16H2,1H3/t10-,11+/m0/s1
InChIKeyVJBZUQSLIWXRQB-WDEREUQCSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tranylcypromine
CID 5530
Phentermine
CID 4771
(1R,2S)-Tranylcypromine
CID 19493
(+)-Tranylcypromine
CID 26070
Pentorex
CID 22031
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
(1S,2S)-2-phenylcyclopropan-1-amine
CID 6604304
alpha-Methyl-4-(trifluoromethyl)benzeneethanamine
CID 121502
(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine hydrochloride
CID 118483877
(1R)-2-phenylcyclopropan-1-amine
CID 441233
1-Phenylcyclopropylamine
CID 194548
(1S,2R)-1-methyl-2-phenylcyclopropan-1-aminehydrochloride
CID 118712956

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 90212559) is cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine is CC[C@@]1(N)C[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is VJBZUQSLIWXRQB-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,2,7,16H2,1H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 229.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 90212559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).