N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

C17H21BrN2O — CID 79262649

IUPACN-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cccc(COc2ccc(CNC(C)C)cc2Br)n1
InChIInChI=1S/C17H21BrN2O/c1-12(2)19-10-14-7-8-17(16(18)9-14)21-11-15-6-4-5-13(3)20-15/h4-9,12,19H,10-11H2,1-3H3
InChIKeyPXLFNPPKBGCAOZ-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.23
Rot. Bonds6

About N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 79262649) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID79262649
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cccc(COc2ccc(CNC(C)C)cc2Br)n1
InChIInChI=1S/C17H21BrN2O/c1-12(2)19-10-14-7-8-17(16(18)9-14)21-11-15-6-4-5-13(3)20-15/h4-9,12,19H,10-11H2,1-3H3
InChIKeyPXLFNPPKBGCAOZ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670
N-[[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045528
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
N-[(3-bromo-4-octoxyphenyl)methyl]propan-2-amine
CID 63501051
1-[4-methoxy-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 79267227
N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60657611
N-[[3-bromo-4-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473368
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
N-[[3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041356
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
N-[[3-bromo-4-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 63045692
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (CID 79262649) is N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is Cc1cccc(COc2ccc(CNC(C)C)cc2Br)n1.
What is the InChIKey of N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is PXLFNPPKBGCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12(2)19-10-14-7-8-17(16(18)9-14)21-11-15-6-4-5-13(3)20-15/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 349.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79262649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).