N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine

C11H11ClF3N — CID 83307890

IUPACN-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C11H11ClF3N/c12-10-3-1-2-9(11(13,14)15)8(10)6-16-7-4-5-7/h1-3,7,16H,4-6H2
InChIKeyPKMOLDFFRLURDB-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.61
Rot. Bonds3

About N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 83307890) has the molecular formula C11H11ClF3N and a molecular weight of 249.66 g/mol. Its IUPAC name is N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID83307890
Molecular FormulaC11H11ClF3N
Molecular Weight249.66 g/mol
Exact Mass249.05
IUPAC NameN-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C11H11ClF3N/c12-10-3-1-2-9(11(13,14)15)8(10)6-16-7-4-5-7/h1-3,7,16H,4-6H2
InChIKeyPKMOLDFFRLURDB-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine 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

1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63805892
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 83307890) is N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine is FC(F)(F)c1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is PKMOLDFFRLURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N/c12-10-3-1-2-9(11(13,14)15)8(10)6-16-7-4-5-7/h1-3,7,16H,4-6H2.
What are the key properties of N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 249.66 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 83307890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).