2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline

C17H19F2N — CID 82818771

IUPAC2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCc1ccc(F)c(NCc2ccc(C(C)C)cc2)c1F
InChIInChI=1S/C17H19F2N/c1-11(2)14-7-5-13(6-8-14)10-20-17-15(18)9-4-12(3)16(17)19/h4-9,11,20H,10H2,1-3H3
InChIKeyVQCPVCNVVGXMHS-UHFFFAOYSA-N
MW275.34 g/mol
LogP5.01
Rot. Bonds4

About 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline

2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 82818771) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID82818771
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCc1ccc(F)c(NCc2ccc(C(C)C)cc2)c1F
InChIInChI=1S/C17H19F2N/c1-11(2)14-7-5-13(6-8-14)10-20-17-15(18)9-4-12(3)16(17)19/h4-9,11,20H,10H2,1-3H3
InChIKeyVQCPVCNVVGXMHS-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]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-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82815913
2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
CID 82815523
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818653
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107597110
2-[(2,6-difluoro-3-methylanilino)methyl]phenol
CID 82815772
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 82818771) is 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline is Cc1ccc(F)c(NCc2ccc(C(C)C)cc2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is VQCPVCNVVGXMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11(2)14-7-5-13(6-8-14)10-20-17-15(18)9-4-12(3)16(17)19/h4-9,11,20H,10H2,1-3H3.
What are the key properties of 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline?
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 275.34 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 82818771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).