2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine

C14H15BrN2O — CID 104800998

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2O/c1-18-13-4-2-3-11(7-13)14(16)6-10-5-12(15)9-17-8-10/h2-5,7-9,14H,6,16H2,1H3
InChIKeyHFKHNPYWKBNWIW-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.10
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 104800998) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID104800998
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2O/c1-18-13-4-2-3-11(7-13)14(16)6-10-5-12(15)9-17-8-10/h2-5,7-9,14H,6,16H2,1H3
InChIKeyHFKHNPYWKBNWIW-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
CID 113455706
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105334826
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine (CID 104800998) is 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)Cc2cncc(Br)c2)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is HFKHNPYWKBNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-13-4-2-3-11(7-13)14(16)6-10-5-12(15)9-17-8-10/h2-5,7-9,14H,6,16H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 104800998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).