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

C17H20BrFN2 — CID 82954421

IUPAC5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(Br)cc1N(C)Cc1ccccc1F
InChIInChI=1S/C17H20BrFN2/c1-12(20-2)15-9-8-14(18)10-17(15)21(3)11-13-6-4-5-7-16(13)19/h4-10,12,20H,11H2,1-3H3
InChIKeyKCQPUJQYXFMWAI-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.51
Rot. Bonds5

About 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline

5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline (PubChem CID 82954421) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
PubChem CID82954421
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(Br)cc1N(C)Cc1ccccc1F
InChIInChI=1S/C17H20BrFN2/c1-12(20-2)15-9-8-14(18)10-17(15)21(3)11-13-6-4-5-7-16(13)19/h4-10,12,20H,11H2,1-3H3
InChIKeyKCQPUJQYXFMWAI-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
5-[(2-fluorophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590474
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411746
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058
5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 114892900
N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121997
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline (CID 82954421) is 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(Br)cc1N(C)Cc1ccccc1F.
What is the InChIKey of 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline?
The InChIKey is KCQPUJQYXFMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-12(20-2)15-9-8-14(18)10-17(15)21(3)11-13-6-4-5-7-16(13)19/h4-10,12,20H,11H2,1-3H3.
What are the key properties of 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline?
5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline has a molecular weight of 351.26 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 82954421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).