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

C14H19F5N2 — CID 63058991

IUPAC2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(C)CNCc1cc(F)c(N(C)CC(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F5N2/c1-9(2)6-20-7-10-4-11(15)13(12(16)5-10)21(3)8-14(17,18)19/h4-5,9,20H,6-8H2,1-3H3
InChIKeySTPCYYJYSUJZNR-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.71
Rot. Bonds6

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

2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 63058991) has the molecular formula C14H19F5N2 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
PubChem CID63058991
Molecular FormulaC14H19F5N2
Molecular Weight310.31 g/mol
Exact Mass310.15
IUPAC Name2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(C)CNCc1cc(F)c(N(C)CC(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F5N2/c1-9(2)6-20-7-10-4-11(15)13(12(16)5-10)21(3)8-14(17,18)19/h4-5,9,20H,6-8H2,1-3H3
InChIKeySTPCYYJYSUJZNR-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63552445
4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 55236382
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
CID 63954399
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62428706
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutyl)aniline
CID 63551167
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[3,5-difluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805216

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline (CID 63058991) is 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline is CC(C)CNCc1cc(F)c(N(C)CC(F)(F)F)c(F)c1.
What is the InChIKey of 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is STPCYYJYSUJZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5N2/c1-9(2)6-20-7-10-4-11(15)13(12(16)5-10)21(3)8-14(17,18)19/h4-5,9,20H,6-8H2,1-3H3.
What are the key properties of 2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 310.31 g/mol, XLogP of 3.71, 6 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-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 63058991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).