1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine

C16H19BrN2O2 — CID 104796450

IUPAC1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O2/c1-11(18-2)15-7-6-14(20-3)8-16(15)21-10-13-5-4-12(17)9-19-13/h4-9,11,18H,10H2,1-3H3
InChIKeyVVZPVGPHIGRXKF-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine

1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine (PubChem CID 104796450) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
PubChem CID104796450
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O2/c1-11(18-2)15-7-6-14(20-3)8-16(15)21-10-13-5-4-12(17)9-19-13/h4-9,11,18H,10H2,1-3H3
InChIKeyVVZPVGPHIGRXKF-UHFFFAOYSA-N
XLogP3.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 115606086
1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947315
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 82000350
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
CID 104796365
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine (CID 104796450) is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC)cc1OCc1ccc(Br)cn1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is VVZPVGPHIGRXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11(18-2)15-7-6-14(20-3)8-16(15)21-10-13-5-4-12(17)9-19-13/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 351.24 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 104796450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).