4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline

C11H16F2N2 — CID 84680353

IUPAC4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline
SMILESCC(F)(F)CNc1ccc(CCN)cc1
InChIInChI=1S/C11H16F2N2/c1-11(12,13)8-15-10-4-2-9(3-5-10)6-7-14/h2-5,15H,6-8,14H2,1H3
InChIKeyHAFHJEJVMYGHNV-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.25
Rot. Bonds5

About 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline

4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline (PubChem CID 84680353) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline
PubChem CID84680353
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline
SMILESCC(F)(F)CNc1ccc(CCN)cc1
InChIInChI=1S/C11H16F2N2/c1-11(12,13)8-15-10-4-2-9(3-5-10)6-7-14/h2-5,15H,6-8,14H2,1H3
InChIKeyHAFHJEJVMYGHNV-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline (CID 84680353) is 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline is CC(F)(F)CNc1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline?
The InChIKey is HAFHJEJVMYGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-11(12,13)8-15-10-4-2-9(3-5-10)6-7-14/h2-5,15H,6-8,14H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline?
4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline has a molecular weight of 214.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline is sourced from PubChem (CID 84680353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).