2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline

C16H18BrFN2 — CID 62912041

IUPAC2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-11(19-2)12-4-9-16(15(17)10-12)20(3)14-7-5-13(18)6-8-14/h4-11,19H,1-3H3
InChIKeyZNKVUPAXTLBJRQ-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.64
Rot. Bonds4

About 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline

2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline (PubChem CID 62912041) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
PubChem CID62912041
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-11(19-2)12-4-9-16(15(17)10-12)20(3)14-7-5-13(18)6-8-14/h4-11,19H,1-3H3
InChIKeyZNKVUPAXTLBJRQ-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3,5-dimethylphenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63533609
2-bromo-N-(2-methoxyethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910434
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
4-[4-fluoro-N-methyl-2-[1-(methylamino)ethyl]anilino]benzonitrile
CID 62970546
N-benzyl-2-bromo-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62907620
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 63368025
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 78936182
2-bromo-N-ethyl-4-[1-(methylamino)ethyl]-N-propylaniline
CID 55133038
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660554
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline (CID 62912041) is 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(N(C)c2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
The InChIKey is ZNKVUPAXTLBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-11(19-2)12-4-9-16(15(17)10-12)20(3)14-7-5-13(18)6-8-14/h4-11,19H,1-3H3.
What are the key properties of 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline has a molecular weight of 337.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 62912041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).