N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine

C16H16Br2N2O — CID 102773650

IUPACN-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine
SMILESBrc1cncc(OCc2ccc(CNC3CC3)cc2Br)c1
InChIInChI=1S/C16H16Br2N2O/c17-13-6-15(9-19-8-13)21-10-12-2-1-11(5-16(12)18)7-20-14-3-4-14/h1-2,5-6,8-9,14,20H,3-4,7,10H2
InChIKeyUQXADLUUULGKQD-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.44
Rot. Bonds6

About N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine

N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine (PubChem CID 102773650) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine
PubChem CID102773650
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine
SMILESBrc1cncc(OCc2ccc(CNC3CC3)cc2Br)c1
InChIInChI=1S/C16H16Br2N2O/c17-13-6-15(9-19-8-13)21-10-12-2-1-11(5-16(12)18)7-20-14-3-4-14/h1-2,5-6,8-9,14,20H,3-4,7,10H2
InChIKeyUQXADLUUULGKQD-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-[[3-bromo-4-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102774105
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 102772959
N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773946
3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]benzoic acid
CID 102765543
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[3-bromo-4-(thiophen-2-ylmethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773450
3-bromo-5-phenylmethoxypyridine
CID 15389198
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769676
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine (CID 102773650) is N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine is Brc1cncc(OCc2ccc(CNC3CC3)cc2Br)c1.
What is the InChIKey of N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is UQXADLUUULGKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c17-13-6-15(9-19-8-13)21-10-12-2-1-11(5-16(12)18)7-20-14-3-4-14/h1-2,5-6,8-9,14,20H,3-4,7,10H2.
What are the key properties of N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]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-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102773650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).