1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine

C16H19BrN2O — CID 115982350

IUPAC1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCc1cccnc1COc1c(Br)cccc1CC(C)N
InChIInChI=1S/C16H19BrN2O/c1-11-5-4-8-19-15(11)10-20-16-13(9-12(2)18)6-3-7-14(16)17/h3-8,12H,9-10,18H2,1-2H3
InChIKeyJIYXBUIZJFIHRU-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine

1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine (PubChem CID 115982350) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
PubChem CID115982350
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCc1cccnc1COc1c(Br)cccc1CC(C)N
InChIInChI=1S/C16H19BrN2O/c1-11-5-4-8-19-15(11)10-20-16-13(9-12(2)18)6-3-7-14(16)17/h3-8,12H,9-10,18H2,1-2H3
InChIKeyJIYXBUIZJFIHRU-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 116617144
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine (CID 115982350) is 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine is Cc1cccnc1COc1c(Br)cccc1CC(C)N.
What is the InChIKey of 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The InChIKey is JIYXBUIZJFIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-5-4-8-19-15(11)10-20-16-13(9-12(2)18)6-3-7-14(16)17/h3-8,12H,9-10,18H2,1-2H3.
What are the key properties of 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115982350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).