N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H16Br2N2O — CID 107285712

IUPACN-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1Oc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C16H16Br2N2O/c1-10-2-3-12(17)7-15(10)21-16-11(6-13(18)9-20-16)8-19-14-4-5-14/h2-3,6-7,9,14,19H,4-5,8H2,1H3
InChIKeyJTMTVGCKWHYWNB-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.96
Rot. Bonds5

About N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 107285712) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID107285712
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1Oc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C16H16Br2N2O/c1-10-2-3-12(17)7-15(10)21-16-11(6-13(18)9-20-16)8-19-14-4-5-14/h2-3,6-7,9,14,19H,4-5,8H2,1H3
InChIKeyJTMTVGCKWHYWNB-UHFFFAOYSA-N
XLogP4.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81341298
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 107285712) is N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Br)cc1Oc1ncc(Br)cc1CNC1CC1.
What is the InChIKey of N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JTMTVGCKWHYWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10-2-3-12(17)7-15(10)21-16-11(6-13(18)9-20-16)8-19-14-4-5-14/h2-3,6-7,9,14,19H,4-5,8H2,1H3.
What are the key properties of N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 412.13 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107285712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).