(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine

C15H17BrN2O — CID 105026543

IUPAC(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2cccc(Br)c2C)c1
InChIInChI=1S/C15H17BrN2O/c1-3-19-12-7-11(8-18-9-12)15(17)13-5-4-6-14(16)10(13)2/h4-9,15H,3,17H2,1-2H3
InChIKeyWKBKFWYDZNXYET-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.60
Rot. Bonds4

About (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine

(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine (PubChem CID 105026543) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
PubChem CID105026543
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2cccc(Br)c2C)c1
InChIInChI=1S/C15H17BrN2O/c1-3-19-12-7-11(8-18-9-12)15(17)13-5-4-6-14(16)10(13)2/h4-9,15H,3,17H2,1-2H3
InChIKeyWKBKFWYDZNXYET-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105175597
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The IUPAC name of (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine (CID 105026543) is (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine is CCOc1cncc(C(N)c2cccc(Br)c2C)c1.
What is the InChIKey of (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The InChIKey is WKBKFWYDZNXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-19-12-7-11(8-18-9-12)15(17)13-5-4-6-14(16)10(13)2/h4-9,15H,3,17H2,1-2H3.
What are the key properties of (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine has a molecular weight of 321.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).