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

C17H20BrFN2 — CID 82955816

IUPAC2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
SMILESCC(N)c1cc(Br)ccc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H20BrFN2/c1-11(20)15-10-13(18)8-9-17(15)21(3)12(2)14-6-4-5-7-16(14)19/h4-12H,20H2,1-3H3
InChIKeySUCMITVUCUHDQG-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.81
Rot. Bonds4

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

2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline (PubChem CID 82955816) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
PubChem CID82955816
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
SMILESCC(N)c1cc(Br)ccc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H20BrFN2/c1-11(20)15-10-13(18)8-9-17(15)21(3)12(2)14-6-4-5-7-16(14)19/h4-12H,20H2,1-3H3
InChIKeySUCMITVUCUHDQG-UHFFFAOYSA-N
XLogP4.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline (CID 82955816) is 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline is CC(N)c1cc(Br)ccc1N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The InChIKey is SUCMITVUCUHDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-11(20)15-10-13(18)8-9-17(15)21(3)12(2)14-6-4-5-7-16(14)19/h4-12H,20H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline has a molecular weight of 351.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 82955816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).