N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C16H17BrN2O — CID 83134114

IUPACN-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cccc(CNC3CC3)n2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-9-14(7-8-15(11)17)20-16-4-2-3-13(19-16)10-18-12-5-6-12/h2-4,7-9,12,18H,5-6,10H2,1H3
InChIKeyXVYYPSXQBLOQLX-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds5

About N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 83134114) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID83134114
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cccc(CNC3CC3)n2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-9-14(7-8-15(11)17)20-16-4-2-3-13(19-16)10-18-12-5-6-12/h2-4,7-9,12,18H,5-6,10H2,1H3
InChIKeyXVYYPSXQBLOQLX-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 83138147
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 81326156
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187374
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138179
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
CID 83134194

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 83134114) is N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1cc(Oc2cccc(CNC3CC3)n2)ccc1Br.
What is the InChIKey of N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XVYYPSXQBLOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-9-14(7-8-15(11)17)20-16-4-2-3-13(19-16)10-18-12-5-6-12/h2-4,7-9,12,18H,5-6,10H2,1H3.
What are the key properties of N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 333.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 83134114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).