1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

C16H16BrF2N — CID 43673266

IUPAC1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-10(12-4-3-5-13(17)8-12)20-11(2)15-9-14(18)6-7-16(15)19/h3-11,20H,1-2H3
InChIKeyPBHKMXDWPCNBEP-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.14
Rot. Bonds4

About 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (PubChem CID 43673266) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
PubChem CID43673266
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-10(12-4-3-5-13(17)8-12)20-11(2)15-9-14(18)6-7-16(15)19/h3-11,20H,1-2H3
InChIKeyPBHKMXDWPCNBEP-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82964513
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
CID 43779230
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (CID 43673266) is 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is CC(NC(C)c1cc(F)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is PBHKMXDWPCNBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10(12-4-3-5-13(17)8-12)20-11(2)15-9-14(18)6-7-16(15)19/h3-11,20H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 340.21 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43673266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).