1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine

C17H21BrN2O — CID 102880408

IUPAC1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OCc1cncc(C)c1
InChIInChI=1S/C17H21BrN2O/c1-4-20-13(3)16-8-15(18)5-6-17(16)21-11-14-7-12(2)9-19-10-14/h5-10,13,20H,4,11H2,1-3H3
InChIKeyCSUQNIFLXGOFDR-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.40
Rot. Bonds6

About 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine

1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 102880408) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
PubChem CID102880408
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OCc1cncc(C)c1
InChIInChI=1S/C17H21BrN2O/c1-4-20-13(3)16-8-15(18)5-6-17(16)21-11-14-7-12(2)9-19-10-14/h5-10,13,20H,4,11H2,1-3H3
InChIKeyCSUQNIFLXGOFDR-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880480
N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 102880334
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 62392990
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine (CID 102880408) is 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1OCc1cncc(C)c1.
What is the InChIKey of 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is CSUQNIFLXGOFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-20-13(3)16-8-15(18)5-6-17(16)21-11-14-7-12(2)9-19-10-14/h5-10,13,20H,4,11H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine?
1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 102880408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).