2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline

C16H16ClF2N — CID 83081256

IUPAC2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline
SMILESCC(C)C(Nc1c(F)cc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClF2N/c1-10(2)15(11-6-4-3-5-7-11)20-16-13(17)8-12(18)9-14(16)19/h3-10,15,20H,1-2H3
InChIKeyOLMNQKBNRQVNDV-UHFFFAOYSA-N
MW295.76 g/mol
LogP5.43
Rot. Bonds4

About 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline

2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline (PubChem CID 83081256) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline
PubChem CID83081256
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline
SMILESCC(C)C(Nc1c(F)cc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClF2N/c1-10(2)15(11-6-4-3-5-7-11)20-16-13(17)8-12(18)9-14(16)19/h3-10,15,20H,1-2H3
InChIKeyOLMNQKBNRQVNDV-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.76
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline (CID 83081256) is 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline is CC(C)C(Nc1c(F)cc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline?
The InChIKey is OLMNQKBNRQVNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(2)15(11-6-4-3-5-7-11)20-16-13(17)8-12(18)9-14(16)19/h3-10,15,20H,1-2H3.
What are the key properties of 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline?
2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline has a molecular weight of 295.76 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline is sourced from PubChem (CID 83081256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).