2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline

C16H26F2N2 — CID 63552445

IUPAC2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1cc(F)c(N(C)CC(C)C)c(F)c1
InChIInChI=1S/C16H26F2N2/c1-11(2)8-19-9-13-6-14(17)16(15(18)7-13)20(5)10-12(3)4/h6-7,11-12,19H,8-10H2,1-5H3
InChIKeyCYWKZLXCYUAHHN-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.80
Rot. Bonds7

About 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline

2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63552445) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63552445
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1cc(F)c(N(C)CC(C)C)c(F)c1
InChIInChI=1S/C16H26F2N2/c1-11(2)8-19-9-13-6-14(17)16(15(18)7-13)20(5)10-12(3)4/h6-7,11-12,19H,8-10H2,1-5H3
InChIKeyCYWKZLXCYUAHHN-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline (CID 63552445) is 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1cc(F)c(N(C)CC(C)C)c(F)c1.
What is the InChIKey of 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is CYWKZLXCYUAHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-11(2)8-19-9-13-6-14(17)16(15(18)7-13)20(5)10-12(3)4/h6-7,11-12,19H,8-10H2,1-5H3.
What are the key properties of 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 284.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63552445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).