1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

C16H16BrF2N — CID 82961644

IUPAC1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-11(15-10-13(17)4-7-16(15)19)20-9-8-12-2-5-14(18)6-3-12/h2-7,10-11,20H,8-9H2,1H3
InChIKeyBSMQZQDLCPLQRP-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (PubChem CID 82961644) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
PubChem CID82961644
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-11(15-10-13(17)4-7-16(15)19)20-9-8-12-2-5-14(18)6-3-12/h2-7,10-11,20H,8-9H2,1H3
InChIKeyBSMQZQDLCPLQRP-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 82962932
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (CID 82961644) is 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is CC(NCCc1ccc(F)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The InChIKey is BSMQZQDLCPLQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-11(15-10-13(17)4-7-16(15)19)20-9-8-12-2-5-14(18)6-3-12/h2-7,10-11,20H,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 82961644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).