1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine

C15H16BrClN2 — CID 82773330

IUPAC1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCC(NCCc1ccncc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H16BrClN2/c1-11(14-3-2-13(16)10-15(14)17)19-9-6-12-4-7-18-8-5-12/h2-5,7-8,10-11,19H,6,9H2,1H3
InChIKeyBQYWMINMNYJRIZ-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 82773330) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID82773330
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCC(NCCc1ccncc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H16BrClN2/c1-11(14-3-2-13(16)10-15(14)17)19-9-6-12-4-7-18-8-5-12/h2-5,7-8,10-11,19H,6,9H2,1H3
InChIKeyBQYWMINMNYJRIZ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82774626
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 82773319

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 82773330) is 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine is CC(NCCc1ccncc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is BQYWMINMNYJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-11(14-3-2-13(16)10-15(14)17)19-9-6-12-4-7-18-8-5-12/h2-5,7-8,10-11,19H,6,9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 339.66 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 82773330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).