N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine

C17H21BrN2O — CID 82807232

IUPACN-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(OCc2ccccc2Br)n1
InChIInChI=1S/C17H21BrN2O/c1-13(2)10-19-11-15-7-5-9-17(20-15)21-12-14-6-3-4-8-16(14)18/h3-9,13,19H,10-12H2,1-2H3
InChIKeyOQJCEZINUSNGIV-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.17
Rot. Bonds7

About N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 82807232) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID82807232
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(OCc2ccccc2Br)n1
InChIInChI=1S/C17H21BrN2O/c1-13(2)10-19-11-15-7-5-9-17(20-15)21-12-14-6-3-4-8-16(14)18/h3-9,13,19H,10-12H2,1-2H3
InChIKeyOQJCEZINUSNGIV-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486878
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726
N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
CID 82831544
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
2-methyl-N-[[6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322968
6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile
CID 82825869

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 82807232) is N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(OCc2ccccc2Br)n1.
What is the InChIKey of N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OQJCEZINUSNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-13(2)10-19-11-15-7-5-9-17(20-15)21-12-14-6-3-4-8-16(14)18/h3-9,13,19H,10-12H2,1-2H3.
What are the key properties of N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 349.27 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82807232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).