N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline

C16H17F2N — CID 82818225

IUPACN-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(C)c(CNc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2N/c1-10-4-5-11(2)13(8-10)9-19-16-14(17)7-6-12(3)15(16)18/h4-8,19H,9H2,1-3H3
InChIKeyCUATWERDEMUSFB-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.50
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline

N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 82818225) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID82818225
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(C)c(CNc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2N/c1-10-4-5-11(2)13(8-10)9-19-16-14(17)7-6-12(3)15(16)18/h4-8,19H,9H2,1-3H3
InChIKeyCUATWERDEMUSFB-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54957845
2-[(2,6-difluoro-3-methylanilino)methyl]phenol
CID 82815772
N-[(2,5-dimethylphenyl)methyl]-2-fluoro-6-nitroaniline
CID 81310984
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
N-[(2,5-dimethylphenyl)methyl]-2,4-difluoro-6-nitroaniline
CID 81306539
methyl 5-[(2,5-dimethylphenyl)methylamino]-2-fluorobenzoate
CID 60732379
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline (CID 82818225) is N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline is Cc1ccc(C)c(CNc2c(F)ccc(C)c2F)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is CUATWERDEMUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-4-5-11(2)13(8-10)9-19-16-14(17)7-6-12(3)15(16)18/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline?
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82818225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).