4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline

C16H18BrFN2 — CID 62910058

IUPAC4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)Cc2ccccc2F)c(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-11(19)12-7-8-16(14(17)9-12)20(2)10-13-5-3-4-6-15(13)18/h3-9,11H,10,19H2,1-2H3
InChIKeyLLLYGQSVWHYDMI-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.24
Rot. Bonds4

About 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline

4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline (PubChem CID 62910058) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
PubChem CID62910058
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)Cc2ccccc2F)c(Br)c1
InChIInChI=1S/C16H18BrFN2/c1-11(19)12-7-8-16(14(17)9-12)20(2)10-13-5-3-4-6-15(13)18/h3-9,11H,10,19H2,1-2H3
InChIKeyLLLYGQSVWHYDMI-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
4-[(1S)-1-aminoethyl]-2-bromo-N-[(2-chlorophenyl)methyl]-N-methylaniline
CID 63532532
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
4-[(1S)-1-aminoethyl]-2-bromo-N-(2,2-difluoroethyl)-N-methylaniline
CID 104870977
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 82801528
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 78934605
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 55190467
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 79009092
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799105
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline (CID 62910058) is 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline is CC(N)c1ccc(N(C)Cc2ccccc2F)c(Br)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is LLLYGQSVWHYDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-11(19)12-7-8-16(14(17)9-12)20(2)10-13-5-3-4-6-15(13)18/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 337.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 62910058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).