4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline

C15H22F2N2O — CID 63783626

IUPAC4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCN(CC1CCOCC1)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C15H22F2N2O/c1-19(10-11-3-6-20-7-4-11)15-13(16)8-12(2-5-18)9-14(15)17/h8-9,11H,2-7,10,18H2,1H3
InChIKeyPKAOWCCAQFKUMR-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.33
Rot. Bonds5

About 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline

4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 63783626) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
PubChem CID63783626
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCN(CC1CCOCC1)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C15H22F2N2O/c1-19(10-11-3-6-20-7-4-11)15-13(16)8-12(2-5-18)9-14(15)17/h8-9,11H,2-7,10,18H2,1H3
InChIKeyPKAOWCCAQFKUMR-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline (CID 63783626) is 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline is CN(CC1CCOCC1)c1c(F)cc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is PKAOWCCAQFKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-19(10-11-3-6-20-7-4-11)15-13(16)8-12(2-5-18)9-14(15)17/h8-9,11H,2-7,10,18H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 284.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 63783626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).