4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline

C16H17BrF2N2 — CID 107532357

IUPAC4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1F)N(C)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C16H17BrF2N2/c1-10(12-5-3-4-6-13(12)18)21(2)14-8-7-11(9-20)15(17)16(14)19/h3-8,10H,9,20H2,1-2H3
InChIKeyVIFQKFWCHPVXHU-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.38
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline

4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline (PubChem CID 107532357) has the molecular formula C16H17BrF2N2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
PubChem CID107532357
Molecular FormulaC16H17BrF2N2
Molecular Weight355.23 g/mol
Exact Mass354.05
IUPAC Name4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1F)N(C)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C16H17BrF2N2/c1-10(12-5-3-4-6-13(12)18)21(2)14-8-7-11(9-20)15(17)16(14)19/h3-8,10H,9,20H2,1-2H3
InChIKeyVIFQKFWCHPVXHU-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
2-bromo-3-fluoro-4-[1-(2-fluorophenyl)ethyl-methylamino]benzonitrile
CID 107533639
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylaniline
CID 63567303
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
5-N-[1-(2-fluorophenyl)ethyl]-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62978278
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline (CID 107532357) is 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline is CC(c1ccccc1F)N(C)c1ccc(CN)c(Br)c1F.
What is the InChIKey of 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The InChIKey is VIFQKFWCHPVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF2N2/c1-10(12-5-3-4-6-13(12)18)21(2)14-8-7-11(9-20)15(17)16(14)19/h3-8,10H,9,20H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline has a molecular weight of 355.23 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 107532357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).