1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine

C15H14BrClFN — CID 114842202

IUPAC1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Cl)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClFN/c1-10(11-2-4-13(16)5-3-11)19-9-12-8-14(17)6-7-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyHOJMUVNGOZYYCO-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine

1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine (PubChem CID 114842202) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
PubChem CID114842202
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Cl)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClFN/c1-10(11-2-4-13(16)5-3-11)19-9-12-8-14(17)6-7-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyHOJMUVNGOZYYCO-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
2-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-4-chlorophenol
CID 78921856
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-4,6-dichlorophenol
CID 81359211
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine (CID 114842202) is 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine is CC(NCc1cc(Cl)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The InChIKey is HOJMUVNGOZYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(11-2-4-13(16)5-3-11)19-9-12-8-14(17)6-7-15(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine has a molecular weight of 342.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 114842202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).