6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine

C19H25ClF2N2 — CID 143097472

IUPAC6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine
SMILESCCN.CCc1ccc(Cl)c(NCC(F)(F)c2ccccc2)c1C
InChIInChI=1S/C17H18ClF2N.C2H7N/c1-3-13-9-10-15(18)16(12(13)2)21-11-17(19,20)14-7-5-4-6-8-14;1-2-3/h4-10,21H,3,11H2,1-2H3;2-3H2,1H3
InChIKeyFENNRPPOWXUJQM-UHFFFAOYSA-N
MW354.87 g/mol
LogP5.38
Rot. Bonds5

About 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine

6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine (PubChem CID 143097472) has the molecular formula C19H25ClF2N2 and a molecular weight of 354.87 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine
PubChem CID143097472
Molecular FormulaC19H25ClF2N2
Molecular Weight354.87 g/mol
Exact Mass354.17
IUPAC Name6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine
SMILESCCN.CCc1ccc(Cl)c(NCC(F)(F)c2ccccc2)c1C
InChIInChI=1S/C17H18ClF2N.C2H7N/c1-3-13-9-10-15(18)16(12(13)2)21-11-17(19,20)14-7-5-4-6-8-14;1-2-3/h4-10,21H,3,11H2,1-2H3;2-3H2,1H3
InChIKeyFENNRPPOWXUJQM-UHFFFAOYSA-N
XLogP5.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.87
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine?
The IUPAC name of 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine (CID 143097472) is 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine.
What is the SMILES notation for 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine?
The canonical SMILES for 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine is CCN.CCc1ccc(Cl)c(NCC(F)(F)c2ccccc2)c1C.
What is the InChIKey of 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine?
The InChIKey is FENNRPPOWXUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N.C2H7N/c1-3-13-9-10-15(18)16(12(13)2)21-11-17(19,20)14-7-5-4-6-8-14;1-2-3/h4-10,21H,3,11H2,1-2H3;2-3H2,1H3.
What are the key properties of 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine?
6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine has a molecular weight of 354.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine is sourced from PubChem (CID 143097472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).