4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline

C17H19BrFNO — CID 63448717

IUPAC4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
SMILESCOc1ccc(C(C)Nc2c(C)cc(Br)cc2C)cc1F
InChIInChI=1S/C17H19BrFNO/c1-10-7-14(18)8-11(2)17(10)20-12(3)13-5-6-16(21-4)15(19)9-13/h5-9,12,20H,1-4H3
InChIKeyOUDCJMOJEPVTJA-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.39
Rot. Bonds4

About 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline

4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline (PubChem CID 63448717) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
PubChem CID63448717
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
SMILESCOc1ccc(C(C)Nc2c(C)cc(Br)cc2C)cc1F
InChIInChI=1S/C17H19BrFNO/c1-10-7-14(18)8-11(2)17(10)20-12(3)13-5-6-16(21-4)15(19)9-13/h5-9,12,20H,1-4H3
InChIKeyOUDCJMOJEPVTJA-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815
2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107597790
4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103688141

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline (CID 63448717) is 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline is COc1ccc(C(C)Nc2c(C)cc(Br)cc2C)cc1F.
What is the InChIKey of 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline?
The InChIKey is OUDCJMOJEPVTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-10-7-14(18)8-11(2)17(10)20-12(3)13-5-6-16(21-4)15(19)9-13/h5-9,12,20H,1-4H3.
What are the key properties of 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline?
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline has a molecular weight of 352.25 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline is sourced from PubChem (CID 63448717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).