[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride

C17H17ClF3N — CID 68922618

IUPAC[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3N.ClH/c18-17(19,20)15-6-4-11(5-7-15)12-2-1-3-13(8-12)16-9-14(16)10-21;/h1-8,14,16H,9-10,21H2;1H/t14-,16-;/m0./s1
InChIKeyADFFPOQRVAHNJP-DMLYUBSXSA-N
MW327.78 g/mol
LogP4.86
Rot. Bonds3

About [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride

[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 68922618) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID68922618
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3N.ClH/c18-17(19,20)15-6-4-11(5-7-15)12-2-1-3-13(8-12)16-9-14(16)10-21;/h1-8,14,16H,9-10,21H2;1H/t14-,16-;/m0./s1
InChIKeyADFFPOQRVAHNJP-DMLYUBSXSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride (CID 68922618) is [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@@H]1C[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is ADFFPOQRVAHNJP-DMLYUBSXSA-N. The full InChI is InChI=1S/C17H16F3N.ClH/c18-17(19,20)15-6-4-11(5-7-15)12-2-1-3-13(8-12)16-9-14(16)10-21;/h1-8,14,16H,9-10,21H2;1H/t14-,16-;/m0./s1.
What are the key properties of [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride?
[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 327.78 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 68922618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).