1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine

C14H14Br2N2O — CID 105180937

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C14H14Br2N2O/c1-19-11-4-5-13(16)12(7-11)14(17)6-10-3-2-9(15)8-18-10/h2-5,7-8,14H,6,17H2,1H3
InChIKeyBQGOWGZTDGTCHT-UHFFFAOYSA-N
MW386.09 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine

1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine (PubChem CID 105180937) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
PubChem CID105180937
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C14H14Br2N2O/c1-19-11-4-5-13(16)12(7-11)14(17)6-10-3-2-9(15)8-18-10/h2-5,7-8,14H,6,17H2,1H3
InChIKeyBQGOWGZTDGTCHT-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine (CID 105180937) is 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine is COc1ccc(Br)c(C(N)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The InChIKey is BQGOWGZTDGTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-19-11-4-5-13(16)12(7-11)14(17)6-10-3-2-9(15)8-18-10/h2-5,7-8,14H,6,17H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine has a molecular weight of 386.09 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine is sourced from PubChem (CID 105180937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).