4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C12H15F5N2 — CID 107932858

IUPAC4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccc(CN)c(F)c1F
InChIInChI=1S/C12H15F5N2/c1-2-5-19(7-12(15,16)17)9-4-3-8(6-18)10(13)11(9)14/h3-4H,2,5-7,18H2,1H3
InChIKeyJVPFJZLYYQMPJN-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.20
Rot. Bonds5

About 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline

4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 107932858) has the molecular formula C12H15F5N2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID107932858
Molecular FormulaC12H15F5N2
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccc(CN)c(F)c1F
InChIInChI=1S/C12H15F5N2/c1-2-5-19(7-12(15,16)17)9-4-3-8(6-18)10(13)11(9)14/h3-4H,2,5-7,18H2,1H3
InChIKeyJVPFJZLYYQMPJN-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 107932858) is 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1ccc(CN)c(F)c1F.
What is the InChIKey of 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is JVPFJZLYYQMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2/c1-2-5-19(7-12(15,16)17)9-4-3-8(6-18)10(13)11(9)14/h3-4H,2,5-7,18H2,1H3.
What are the key properties of 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 282.26 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 107932858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).