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

C14H15BrN2O — CID 82893200

IUPAC2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2ccccc2Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10-7-12(18-2)8-11(17-10)9-16-14-6-4-3-5-13(14)15/h3-8,16H,9H2,1-2H3
InChIKeyKRQPYIZTSZNQKJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.77
Rot. Bonds4

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

2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 82893200) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID82893200
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2ccccc2Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10-7-12(18-2)8-11(17-10)9-16-14-6-4-3-5-13(14)15/h3-8,16H,9H2,1-2H3
InChIKeyKRQPYIZTSZNQKJ-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911
2,4-dibromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 103413115
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887473
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
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-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]aniline
CID 43344247
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 82893200) is 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is KRQPYIZTSZNQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-7-12(18-2)8-11(17-10)9-16-14-6-4-3-5-13(14)15/h3-8,16H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 307.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 82893200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).