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

C15H15BrFNO — CID 79055350

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
SMILESCOc1ccc(Br)cc1CNc1cc(C)cc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-10-5-13(17)8-14(6-10)18-9-11-7-12(16)3-4-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyPFCXKQPPURLRAP-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.52
Rot. Bonds4

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

N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline (PubChem CID 79055350) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
PubChem CID79055350
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
SMILESCOc1ccc(Br)cc1CNc1cc(C)cc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-10-5-13(17)8-14(6-10)18-9-11-7-12(16)3-4-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyPFCXKQPPURLRAP-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methylaniline
CID 107582286
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
CID 43425592
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43217319

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline (CID 79055350) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline is COc1ccc(Br)cc1CNc1cc(C)cc(F)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline?
The InChIKey is PFCXKQPPURLRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-5-13(17)8-14(6-10)18-9-11-7-12(16)3-4-15(11)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline has a molecular weight of 324.19 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 79055350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).