N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline

C15H15BrFNO — CID 65325822

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline
SMILESCOc1ccc(Br)c(CN(C)c2cccc(F)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-18(13-5-3-4-12(17)9-13)10-11-8-14(19-2)6-7-15(11)16/h3-9H,10H2,1-2H3
InChIKeyWLAQUFLUASVSHM-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.23
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline

N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline (PubChem CID 65325822) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline
PubChem CID65325822
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline
SMILESCOc1ccc(Br)c(CN(C)c2cccc(F)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-18(13-5-3-4-12(17)9-13)10-11-8-14(19-2)6-7-15(11)16/h3-9H,10H2,1-2H3
InChIKeyWLAQUFLUASVSHM-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
4-bromo-2-[(3-fluoro-N-methylanilino)methyl]-6-methylphenol
CID 112621834
3-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 102876736
3-fluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 62019120
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
methyl 2-[(3-fluoro-N-methylanilino)methyl]benzoate
CID 82969804
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline (CID 65325822) is N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline is COc1ccc(Br)c(CN(C)c2cccc(F)c2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is WLAQUFLUASVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18(13-5-3-4-12(17)9-13)10-11-8-14(19-2)6-7-15(11)16/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline?
N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline has a molecular weight of 324.19 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 65325822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).