N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine

C20H22ClF2NO — CID 141208576

IUPACN-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine
SMILESFc1cc(-c2ccccc2Cl)cc(F)c1CNCCC1CCOCC1
InChIInChI=1S/C20H22ClF2NO/c21-18-4-2-1-3-16(18)15-11-19(22)17(20(23)12-15)13-24-8-5-14-6-9-25-10-7-14/h1-4,11-12,14,24H,5-10,13H2
InChIKeyGOGRFVAZJNGGOC-UHFFFAOYSA-N
MW365.85 g/mol
LogP5.19
Rot. Bonds6

About N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine

N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine (PubChem CID 141208576) has the molecular formula C20H22ClF2NO and a molecular weight of 365.85 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine
PubChem CID141208576
Molecular FormulaC20H22ClF2NO
Molecular Weight365.85 g/mol
Exact Mass365.14
IUPAC NameN-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine
SMILESFc1cc(-c2ccccc2Cl)cc(F)c1CNCCC1CCOCC1
InChIInChI=1S/C20H22ClF2NO/c21-18-4-2-1-3-16(18)15-11-19(22)17(20(23)12-15)13-24-8-5-14-6-9-25-10-7-14/h1-4,11-12,14,24H,5-10,13H2
InChIKeyGOGRFVAZJNGGOC-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.85
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine 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 N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine (CID 141208576) is N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine is Fc1cc(-c2ccccc2Cl)cc(F)c1CNCCC1CCOCC1.
What is the InChIKey of N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine?
The InChIKey is GOGRFVAZJNGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2NO/c21-18-4-2-1-3-16(18)15-11-19(22)17(20(23)12-15)13-24-8-5-14-6-9-25-10-7-14/h1-4,11-12,14,24H,5-10,13H2.
What are the key properties of N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine?
N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine has a molecular weight of 365.85 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)-2,6-difluorophenyl]methyl]-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 141208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).