1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine

C17H21BrN2O — CID 104808041

IUPAC1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2O/c1-3-15(19)9-13-6-4-5-12(2)17(13)21-11-16-8-7-14(18)10-20-16/h4-8,10,15H,3,9,11,19H2,1-2H3
InChIKeyMFBZWBJHNPKCBH-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.01
Rot. Bonds6

About 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine

1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine (PubChem CID 104808041) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
PubChem CID104808041
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2O/c1-3-15(19)9-13-6-4-5-12(2)17(13)21-11-16-8-7-14(18)10-20-16/h4-8,10,15H,3,9,11,19H2,1-2H3
InChIKeyMFBZWBJHNPKCBH-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 104798784
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020144
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
CID 115958169
5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 113454492

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine (CID 104808041) is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine is CCC(N)Cc1cccc(C)c1OCc1ccc(Br)cn1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine?
The InChIKey is MFBZWBJHNPKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-15(19)9-13-6-4-5-12(2)17(13)21-11-16-8-7-14(18)10-20-16/h4-8,10,15H,3,9,11,19H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine?
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine has a molecular weight of 349.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 104808041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).