2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine

C15H17BrN2O — CID 105036758

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cncc(Br)c2)ccc1C
InChIInChI=1S/C15H17BrN2O/c1-10-3-4-12(7-15(10)19-2)14(17)6-11-5-13(16)9-18-8-11/h3-5,7-9,14H,6,17H2,1-2H3
InChIKeyLEANLAKLPHEBAY-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.40
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 105036758) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID105036758
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cncc(Br)c2)ccc1C
InChIInChI=1S/C15H17BrN2O/c1-10-3-4-12(7-15(10)19-2)14(17)6-11-5-13(16)9-18-8-11/h3-5,7-9,14H,6,17H2,1-2H3
InChIKeyLEANLAKLPHEBAY-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
CID 104800998
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 105036758) is 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2cncc(Br)c2)ccc1C.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is LEANLAKLPHEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-3-4-12(7-15(10)19-2)14(17)6-11-5-13(16)9-18-8-11/h3-5,7-9,14H,6,17H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.40, 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-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 105036758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).