N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine

C15H16Br2N2O — CID 43220632

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCOc1c(Br)cc(Br)cc1CNCCc1ccccn1
InChIInChI=1S/C15H16Br2N2O/c1-20-15-11(8-12(16)9-14(15)17)10-18-7-5-13-4-2-3-6-19-13/h2-4,6,8-9,18H,5,7,10H2,1H3
InChIKeyFBZKESIQDGOKOM-UHFFFAOYSA-N
MW400.11 g/mol
LogP3.95
Rot. Bonds6

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 43220632) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID43220632
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCOc1c(Br)cc(Br)cc1CNCCc1ccccn1
InChIInChI=1S/C15H16Br2N2O/c1-20-15-11(8-12(16)9-14(15)17)10-18-7-5-13-4-2-3-6-19-13/h2-4,6,8-9,18H,5,7,10H2,1H3
InChIKeyFBZKESIQDGOKOM-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626755
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 43220642
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034
N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine
CID 11164244
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine (CID 43220632) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine is COc1c(Br)cc(Br)cc1CNCCc1ccccn1.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is FBZKESIQDGOKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-20-15-11(8-12(16)9-14(15)17)10-18-7-5-13-4-2-3-6-19-13/h2-4,6,8-9,18H,5,7,10H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 400.11 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 43220632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).