1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine

C14H14Br2N2 — CID 107980663

IUPAC1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)cc(Br)c2)nc1
InChIInChI=1S/C14H14Br2N2/c1-9-2-3-13(18-8-9)7-14(17)10-4-11(15)6-12(16)5-10/h2-6,8,14H,7,17H2,1H3
InChIKeyUODGGVXDNPMLAC-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.16
Rot. Bonds3

About 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 107980663) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID107980663
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)cc(Br)c2)nc1
InChIInChI=1S/C14H14Br2N2/c1-9-2-3-13(18-8-9)7-14(17)10-4-11(15)6-12(16)5-10/h2-6,8,14H,7,17H2,1H3
InChIKeyUODGGVXDNPMLAC-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
CID 105036214
1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 114330207
1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446721
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 107980663) is 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2cc(Br)cc(Br)c2)nc1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is UODGGVXDNPMLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-9-2-3-13(18-8-9)7-14(17)10-4-11(15)6-12(16)5-10/h2-6,8,14H,7,17H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 370.09 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 107980663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).