N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H18Br2N2O — CID 63487635

IUPACN-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1Oc1cccc(Br)c1
InChIInChI=1S/C16H18Br2N2O/c1-11(2)8-19-9-12-6-14(18)10-20-16(12)21-15-5-3-4-13(17)7-15/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyGAWDZTKZSPCGJP-UHFFFAOYSA-N
MW414.14 g/mol
LogP5.14
Rot. Bonds6

About N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 63487635) has the molecular formula C16H18Br2N2O and a molecular weight of 414.14 g/mol. Its IUPAC name is N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID63487635
Molecular FormulaC16H18Br2N2O
Molecular Weight414.14 g/mol
Exact Mass411.98
IUPAC NameN-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1Oc1cccc(Br)c1
InChIInChI=1S/C16H18Br2N2O/c1-11(2)8-19-9-12-6-14(18)10-20-16(12)21-15-5-3-4-13(17)7-15/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyGAWDZTKZSPCGJP-UHFFFAOYSA-N
XLogP5.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[2-[(3-bromophenoxy)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63498759
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667606
N-[[5-(3-bromophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80620023
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 63487635) is N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Br)cnc1Oc1cccc(Br)c1.
What is the InChIKey of N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GAWDZTKZSPCGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O/c1-11(2)8-19-9-12-6-14(18)10-20-16(12)21-15-5-3-4-13(17)7-15/h3-7,10-11,19H,8-9H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 414.14 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63487635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).