(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C11H13ClF3NO — CID 171210195

IUPAC(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H/t10-;/m1./s1
InChIKeyOYKHDXPHVSYIEL-HNCPQSOCSA-N
MW267.68 g/mol
LogP3.42
Rot. Bonds3

About (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171210195) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171210195
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H/t10-;/m1./s1
InChIKeyOYKHDXPHVSYIEL-HNCPQSOCSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride 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

(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171210195) is (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1.
What is the InChIKey of (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is OYKHDXPHVSYIEL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H/t10-;/m1./s1.
What are the key properties of (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 267.68 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171210195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).