2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

C15H17BrN2O2 — CID 82892845

IUPAC2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cc(OC)ccc2Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-6-13(20-3)7-11(18-10)9-17-15-8-12(19-2)4-5-14(15)16/h4-8,17H,9H2,1-3H3
InChIKeyNCJJPSWJASWWPI-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.78
Rot. Bonds5

About 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 82892845) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID82892845
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cc(OC)ccc2Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-6-13(20-3)7-11(18-10)9-17-15-8-12(19-2)4-5-14(15)16/h4-8,17H,9H2,1-3H3
InChIKeyNCJJPSWJASWWPI-UHFFFAOYSA-N
XLogP3.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
2,4-dibromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 103413115
2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79151320
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline
CID 82892931
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 82892845) is 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2cc(OC)ccc2Br)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is NCJJPSWJASWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-6-13(20-3)7-11(18-10)9-17-15-8-12(19-2)4-5-14(15)16/h4-8,17H,9H2,1-3H3.
What are the key properties of 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 337.22 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 82892845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).