2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline

C16H17F2NO — CID 82815523

IUPAC2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
SMILESCOCc1ccc(CNc2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C16H17F2NO/c1-11-3-8-14(17)16(15(11)18)19-9-12-4-6-13(7-5-12)10-20-2/h3-8,19H,9-10H2,1-2H3
InChIKeySODDJQMORHMCHX-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.03
Rot. Bonds5

About 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline

2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline (PubChem CID 82815523) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
PubChem CID82815523
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
SMILESCOCc1ccc(CNc2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C16H17F2NO/c1-11-3-8-14(17)16(15(11)18)19-9-12-4-6-13(7-5-12)10-20-2/h3-8,19H,9-10H2,1-2H3
InChIKeySODDJQMORHMCHX-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82815913
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 82818771
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818653
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
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-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline?
The IUPAC name of 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline (CID 82815523) is 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline.
What is the SMILES notation for 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline?
The canonical SMILES for 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline is COCc1ccc(CNc2c(F)ccc(C)c2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline?
The InChIKey is SODDJQMORHMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-3-8-14(17)16(15(11)18)19-9-12-4-6-13(7-5-12)10-20-2/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline?
2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline has a molecular weight of 277.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline is sourced from PubChem (CID 82815523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).