1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine

C15H16Br2N2 — CID 114330336

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cn2)cc(C)c1Br
InChIInChI=1S/C15H16Br2N2/c1-9-5-11(6-10(2)15(9)17)14(18)7-13-4-3-12(16)8-19-13/h3-6,8,14H,7,18H2,1-2H3
InChIKeyPKJBMKKZLRTBCJ-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine

1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine (PubChem CID 114330336) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
PubChem CID114330336
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cn2)cc(C)c1Br
InChIInChI=1S/C15H16Br2N2/c1-9-5-11(6-10(2)15(9)17)14(18)7-13-4-3-12(16)8-19-13/h3-6,8,14H,7,18H2,1-2H3
InChIKeyPKJBMKKZLRTBCJ-UHFFFAOYSA-N
XLogP4.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 114330207
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
CID 105036214
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine (CID 114330336) is 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine is Cc1cc(C(N)Cc2ccc(Br)cn2)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The InChIKey is PKJBMKKZLRTBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-9-5-11(6-10(2)15(9)17)14(18)7-13-4-3-12(16)8-19-13/h3-6,8,14H,7,18H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine has a molecular weight of 384.12 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine is sourced from PubChem (CID 114330336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).