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

C16H17F2NO2 — CID 82799891

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCOc1ccc(CNc2c(F)ccc(C)c2F)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-10-4-6-12(17)16(15(10)18)19-9-11-5-7-13(20-2)14(8-11)21-3/h4-8,19H,9H2,1-3H3
InChIKeyGMNVQPQYACZTRT-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.90
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 82799891) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID82799891
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCOc1ccc(CNc2c(F)ccc(C)c2F)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-10-4-6-12(17)16(15(10)18)19-9-11-5-7-13(20-2)14(8-11)21-3/h4-8,19H,9H2,1-3H3
InChIKeyGMNVQPQYACZTRT-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
CID 82815523
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
CID 164870346
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818653
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
CID 133372087
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline (CID 82799891) is N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline is COc1ccc(CNc2c(F)ccc(C)c2F)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is GMNVQPQYACZTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10-4-6-12(17)16(15(10)18)19-9-11-5-7-13(20-2)14(8-11)21-3/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline has a molecular weight of 293.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82799891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).