N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine

C10H11ClF3N — CID 65025465

IUPACN-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNC(CCl)c1ccccc1
InChIInChI=1S/C10H11ClF3N/c11-6-9(15-7-10(12,13)14)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyFCEJSUIBMLOVSW-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.12
Rot. Bonds4

About N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine

N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine (PubChem CID 65025465) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
PubChem CID65025465
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC NameN-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNC(CCl)c1ccccc1
InChIInChI=1S/C10H11ClF3N/c11-6-9(15-7-10(12,13)14)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyFCEJSUIBMLOVSW-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine 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

3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
CID 75443631
N-(2-chloro-1-phenylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65026203
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine
CID 82924271
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
CID 65025752
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
N-[2-(4-bromophenoxy)ethyl]-2-chloro-1-phenylethanamine
CID 65025979
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine (CID 65025465) is N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine?
The InChIKey is FCEJSUIBMLOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c11-6-9(15-7-10(12,13)14)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2.
What are the key properties of N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine?
N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine has a molecular weight of 237.65 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 65025465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).