N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

C16H16Br2N2O — CID 106908411

IUPACN-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESBrc1ccc(OCc2cccc(CNC3CC3)n2)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c17-11-4-7-16(15(18)8-11)21-10-14-3-1-2-13(20-14)9-19-12-5-6-12/h1-4,7-8,12,19H,5-6,9-10H2
InChIKeyCTIVURQPAQLEGW-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.44
Rot. Bonds6

About N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908411) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908411
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESBrc1ccc(OCc2cccc(CNC3CC3)n2)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c17-11-4-7-16(15(18)8-11)21-10-14-3-1-2-13(20-14)9-19-12-5-6-12/h1-4,7-8,12,19H,5-6,9-10H2
InChIKeyCTIVURQPAQLEGW-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908528
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106908411) is N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is Brc1ccc(OCc2cccc(CNC3CC3)n2)c(Br)c1.
What is the InChIKey of N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CTIVURQPAQLEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c17-11-4-7-16(15(18)8-11)21-10-14-3-1-2-13(20-14)9-19-12-5-6-12/h1-4,7-8,12,19H,5-6,9-10H2.
What are the key properties of N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 412.13 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).