2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline

C16H18BrFN2 — CID 61416480

IUPAC2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
SMILESCC(N)c1c(F)cccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C16H18BrFN2/c1-11(19)16-14(18)8-5-9-15(16)20(2)10-12-6-3-4-7-13(12)17/h3-9,11H,10,19H2,1-2H3
InChIKeyTWSLFXPDFKGSEK-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.24
Rot. Bonds4

About 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline

2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline (PubChem CID 61416480) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
PubChem CID61416480
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
SMILESCC(N)c1c(F)cccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C16H18BrFN2/c1-11(19)16-14(18)8-5-9-15(16)20(2)10-12-6-3-4-7-13(12)17/h3-9,11H,10,19H2,1-2H3
InChIKeyTWSLFXPDFKGSEK-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

2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359
2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43105495
N-[(2-bromophenyl)methyl]-3-fluoro-N-methyl-2-nitroaniline
CID 61395180
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
2-(1-aminoethyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 61417784

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline (CID 61416480) is 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline is CC(N)c1c(F)cccc1N(C)Cc1ccccc1Br.
What is the InChIKey of 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is TWSLFXPDFKGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-11(19)16-14(18)8-5-9-15(16)20(2)10-12-6-3-4-7-13(12)17/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline?
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-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 2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 61416480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).