(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine

C16H16BrF2N — CID 82964513

IUPAC(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-9-13(17)6-7-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyBEMXLGBOGAFVCB-VUWPPUDQSA-N
MW340.21 g/mol
LogP5.14
Rot. Bonds4

About (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 82964513) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID82964513
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-9-13(17)6-7-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyBEMXLGBOGAFVCB-VUWPPUDQSA-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

N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266
(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
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 82964592
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 82964513) is (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine is CC(N[C@@H](C)c1cccc(F)c1)c1cc(Br)ccc1F.
What is the InChIKey of (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is BEMXLGBOGAFVCB-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-9-13(17)6-7-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)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 (1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 82964513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).