3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline

C14H14Br2N2O — CID 104796784

IUPAC3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NCc1cncc(Br)c1
InChIInChI=1S/C14H14Br2N2O/c1-19-9-12-13(16)3-2-4-14(12)18-7-10-5-11(15)8-17-6-10/h2-6,8,18H,7,9H2,1H3
InChIKeyAAKFJRQEFFJVNS-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.37
Rot. Bonds5

About 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline

3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline (PubChem CID 104796784) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline
PubChem CID104796784
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NCc1cncc(Br)c1
InChIInChI=1S/C14H14Br2N2O/c1-19-9-12-13(16)3-2-4-14(12)18-7-10-5-11(15)8-17-6-10/h2-6,8,18H,7,9H2,1H3
InChIKeyAAKFJRQEFFJVNS-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
3-bromo-2-(methoxymethyl)-N-[(3-methoxyphenyl)methyl]aniline
CID 61166179
3-bromo-2-(methoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818965
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-(methoxymethyl)aniline
CID 79969747
3-bromo-2-(methoxymethyl)-N-[(3-nitrophenyl)methyl]aniline
CID 61165980
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 81145860
3-bromo-2-(methoxymethyl)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818966
3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63987060
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
3-bromo-2-(methoxymethyl)-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 78943842
3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline?
The IUPAC name of 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline (CID 104796784) is 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline is COCc1c(Br)cccc1NCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline?
The InChIKey is AAKFJRQEFFJVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-19-9-12-13(16)3-2-4-14(12)18-7-10-5-11(15)8-17-6-10/h2-6,8,18H,7,9H2,1H3.
What are the key properties of 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline?
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline has a molecular weight of 386.09 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 104796784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).