N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine

C16H16Br2N2O — CID 104796276

IUPACN-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(COc2ccc(CNC3CC3)cc2Br)nc1
InChIInChI=1S/C16H16Br2N2O/c17-12-2-3-14(20-9-12)10-21-16-6-1-11(7-15(16)18)8-19-13-4-5-13/h1-3,6-7,9,13,19H,4-5,8,10H2
InChIKeyZCCVNMGMEXPDGZ-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.44
Rot. Bonds6

About N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 104796276) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID104796276
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(COc2ccc(CNC3CC3)cc2Br)nc1
InChIInChI=1S/C16H16Br2N2O/c17-12-2-3-14(20-9-12)10-21-16-6-1-11(7-15(16)18)8-19-13-4-5-13/h1-3,6-7,9,13,19H,4-5,8,10H2
InChIKeyZCCVNMGMEXPDGZ-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-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
N-[[3-bromo-4-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 83155824
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine (CID 104796276) is N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine is Brc1ccc(COc2ccc(CNC3CC3)cc2Br)nc1.
What is the InChIKey of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is ZCCVNMGMEXPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c17-12-2-3-14(20-9-12)10-21-16-6-1-11(7-15(16)18)8-19-13-4-5-13/h1-3,6-7,9,13,19H,4-5,8,10H2.
What are the key properties of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]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-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104796276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).