2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline

C16H18FNO — CID 783773

IUPAC2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
SMILESCOc1cc(C)c(CNc2ccccc2F)cc1C
InChIInChI=1S/C16H18FNO/c1-11-9-16(19-3)12(2)8-13(11)10-18-15-7-5-4-6-14(15)17/h4-9,18H,10H2,1-3H3
InChIKeyRJIZZDDHMCPBPZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.06
Rot. Bonds4

About 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline

2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline (PubChem CID 783773) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
PubChem CID783773
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
SMILESCOc1cc(C)c(CNc2ccccc2F)cc1C
InChIInChI=1S/C16H18FNO/c1-11-9-16(19-3)12(2)8-13(11)10-18-15-7-5-4-6-14(15)17/h4-9,18H,10H2,1-3H3
InChIKeyRJIZZDDHMCPBPZ-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801
2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538614
N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline (CID 783773) is 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline is COc1cc(C)c(CNc2ccccc2F)cc1C.
What is the InChIKey of 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline?
The InChIKey is RJIZZDDHMCPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-9-16(19-3)12(2)8-13(11)10-18-15-7-5-4-6-14(15)17/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline?
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 783773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).