3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline

C15H16BrFN2 — CID 116951972

IUPAC3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
SMILESCNc1cccc(C(NC)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H16BrFN2/c1-18-12-5-3-4-10(8-12)15(19-2)13-9-11(16)6-7-14(13)17/h3-9,15,18-19H,1-2H3
InChIKeyXNRMIFWFBQTPCD-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.94
Rot. Bonds4

About 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline

3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline (PubChem CID 116951972) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
PubChem CID116951972
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
SMILESCNc1cccc(C(NC)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H16BrFN2/c1-18-12-5-3-4-10(8-12)15(19-2)13-9-11(16)6-7-14(13)17/h3-9,15,18-19H,1-2H3
InChIKeyXNRMIFWFBQTPCD-UHFFFAOYSA-N
XLogP3.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
1-(5-bromo-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105011823
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105280590
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
6-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486083

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline (CID 116951972) is 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline is CNc1cccc(C(NC)c2cc(Br)ccc2F)c1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline?
The InChIKey is XNRMIFWFBQTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-18-12-5-3-4-10(8-12)15(19-2)13-9-11(16)6-7-14(13)17/h3-9,15,18-19H,1-2H3.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline?
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline has a molecular weight of 323.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline is sourced from PubChem (CID 116951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).