1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine

C16H16Cl2FN — CID 105059408

IUPAC1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine
SMILESCC(CCl)(NCc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2FN/c1-16(11-17,13-5-3-2-4-6-13)20-10-12-7-8-14(19)9-15(12)18/h2-9,20H,10-11H2,1H3
InChIKeyBMTZOLHJXPGCOL-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.72
Rot. Bonds5

About 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine

1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine (PubChem CID 105059408) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine
PubChem CID105059408
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine
SMILESCC(CCl)(NCc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2FN/c1-16(11-17,13-5-3-2-4-6-13)20-10-12-7-8-14(19)9-15(12)18/h2-9,20H,10-11H2,1H3
InChIKeyBMTZOLHJXPGCOL-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
1-(2-chloro-4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723330
1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine
CID 105059436
4-fluoro-2-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]benzonitrile
CID 103760771
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
N-[(2-chloro-4-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 63490378
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine
CID 105059589
2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 103793108
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine (CID 105059408) is 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine is CC(CCl)(NCc1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine?
The InChIKey is BMTZOLHJXPGCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-16(11-17,13-5-3-2-4-6-13)20-10-12-7-8-14(19)9-15(12)18/h2-9,20H,10-11H2,1H3.
What are the key properties of 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine?
1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine has a molecular weight of 312.22 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 105059408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).