4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline

C16H17BrFNO — CID 43332367

IUPAC4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCOc1ccc(CNc2c(C)cc(Br)cc2C)cc1F
InChIInChI=1S/C16H17BrFNO/c1-10-6-13(17)7-11(2)16(10)19-9-12-4-5-15(20-3)14(18)8-12/h4-8,19H,9H2,1-3H3
InChIKeyBYCBHILSPMWPGK-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.83
Rot. Bonds4

About 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline

4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline (PubChem CID 43332367) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
PubChem CID43332367
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCOc1ccc(CNc2c(C)cc(Br)cc2C)cc1F
InChIInChI=1S/C16H17BrFNO/c1-10-6-13(17)7-11(2)16(10)19-9-12-4-5-15(20-3)14(18)8-12/h4-8,19H,9H2,1-3H3
InChIKeyBYCBHILSPMWPGK-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 54864255
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 65482959
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
5-bromo-2,4-difluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 102853055
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
5-[(4-bromo-2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65468920

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline (CID 43332367) is 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline is COc1ccc(CNc2c(C)cc(Br)cc2C)cc1F.
What is the InChIKey of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline?
The InChIKey is BYCBHILSPMWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-6-13(17)7-11(2)16(10)19-9-12-4-5-15(20-3)14(18)8-12/h4-8,19H,9H2,1-3H3.
What are the key properties of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline?
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline has a molecular weight of 338.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 43332367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).