N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline

C16H18FNO — CID 43235477

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2C)cc1F
InChIInChI=1S/C16H18FNO/c1-11-4-5-12(2)15(8-11)18-10-13-6-7-16(19-3)14(17)9-13/h4-9,18H,10H2,1-3H3
InChIKeyJJYGXXHAFAHLDG-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.06
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline (PubChem CID 43235477) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
PubChem CID43235477
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2C)cc1F
InChIInChI=1S/C16H18FNO/c1-11-4-5-12(2)15(8-11)18-10-13-6-7-16(19-3)14(17)9-13/h4-9,18H,10H2,1-3H3
InChIKeyJJYGXXHAFAHLDG-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

2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
5-[(2,5-dimethylanilino)methyl]-2-methoxybenzonitrile
CID 65335959
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
5-bromo-2,4-difluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 102853055
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-4-methylsulfonylaniline
CID 75518942
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline (CID 43235477) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline is COc1ccc(CNc2cc(C)ccc2C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline?
The InChIKey is JJYGXXHAFAHLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-5-12(2)15(8-11)18-10-13-6-7-16(19-3)14(17)9-13/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline 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 N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 43235477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).