N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine

C16H22ClF2N — CID 116790557

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
SMILESFC(F)(CNCC1CCCCC1CCl)c1ccccc1
InChIInChI=1S/C16H22ClF2N/c17-10-13-6-4-5-7-14(13)11-20-12-16(18,19)15-8-2-1-3-9-15/h1-3,8-9,13-14,20H,4-7,10-12H2
InChIKeyHZFBWVXVADJYAW-UHFFFAOYSA-N
MW301.81 g/mol
LogP4.41
Rot. Bonds6

About N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine

N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine (PubChem CID 116790557) has the molecular formula C16H22ClF2N and a molecular weight of 301.81 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
PubChem CID116790557
Molecular FormulaC16H22ClF2N
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
SMILESFC(F)(CNCC1CCCCC1CCl)c1ccccc1
InChIInChI=1S/C16H22ClF2N/c17-10-13-6-4-5-7-14(13)11-20-12-16(18,19)15-8-2-1-3-9-15/h1-3,8-9,13-14,20H,4-7,10-12H2
InChIKeyHZFBWVXVADJYAW-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine 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

(2-Cyclohexylidene-2-fluoroethyl)(2-phenylethyl)amine
CID 23646096
n-Benzyl-3-chloro-2-phenylpropan-1-amine
CID 237795
Diphenethylamine, N-(2-chloroethyl)-, hydrochloride
CID 48135
4-(2-(Trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 23435936
N-(3-Chloropropyl)phenylethylamine
CID 194876
2-cyclohexyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63448062
Phenethyl-cyclohexanylethylamine
CID 57305592
N-(2-chloroethyl)-N-(2-chloro-2-phenylethyl)amine hydrochloride
CID 117066894
3-Phenyl-4-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 18001145
N-methyl-3-phenyl-4-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 20067832
3-chloro-N-[phenyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 20360381
(2-Phenylethyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 21916176

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine (CID 116790557) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine is FC(F)(CNCC1CCCCC1CCl)c1ccccc1.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine?
The InChIKey is HZFBWVXVADJYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF2N/c17-10-13-6-4-5-7-14(13)11-20-12-16(18,19)15-8-2-1-3-9-15/h1-3,8-9,13-14,20H,4-7,10-12H2.
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine has a molecular weight of 301.81 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine is sourced from PubChem (CID 116790557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).