N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

C16H18Br2N2O — CID 104796427

IUPACN-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCc2ccc(Br)cn2)ccc1Br
InChIInChI=1S/C16H18Br2N2O/c1-11(2)19-8-12-7-15(5-6-16(12)18)21-10-14-4-3-13(17)9-20-14/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyOXLGMSSWMRVBLC-UHFFFAOYSA-N
MW414.14 g/mol
LogP4.68
Rot. Bonds6

About N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 104796427) has the molecular formula C16H18Br2N2O and a molecular weight of 414.14 g/mol. Its IUPAC name is N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID104796427
Molecular FormulaC16H18Br2N2O
Molecular Weight414.14 g/mol
Exact Mass411.98
IUPAC NameN-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCc2ccc(Br)cn2)ccc1Br
InChIInChI=1S/C16H18Br2N2O/c1-11(2)19-8-12-7-15(5-6-16(12)18)21-10-14-4-3-13(17)9-20-14/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyOXLGMSSWMRVBLC-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.14
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-[(4-bromo-3-methylphenoxy)methyl]-3-pyridinyl]methyl]propan-2-amine
CID 83135465
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781312
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
3-[4-bromo-3-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 114524882
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
1-[4-bromo-3-[(propan-2-ylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114492224
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 65323834

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (CID 104796427) is N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cc(OCc2ccc(Br)cn2)ccc1Br.
What is the InChIKey of N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is OXLGMSSWMRVBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O/c1-11(2)19-8-12-7-15(5-6-16(12)18)21-10-14-4-3-13(17)9-20-14/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 414.14 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 104796427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).