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

C16H19BrN2O — CID 82892931

IUPAC2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline
SMILESCOc1cc(C)nc(CNc2c(C)cc(C)cc2Br)c1
InChIInChI=1S/C16H19BrN2O/c1-10-5-11(2)16(15(17)6-10)18-9-13-8-14(20-4)7-12(3)19-13/h5-8,18H,9H2,1-4H3
InChIKeyBHFHCGKRVZDPAK-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.39
Rot. Bonds4

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

2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline (PubChem CID 82892931) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline
PubChem CID82892931
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline
SMILESCOc1cc(C)nc(CNc2c(C)cc(C)cc2Br)c1
InChIInChI=1S/C16H19BrN2O/c1-10-5-11(2)16(15(17)6-10)18-9-13-8-14(20-4)7-12(3)19-13/h5-8,18H,9H2,1-4H3
InChIKeyBHFHCGKRVZDPAK-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2,4-dibromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 103413115
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507
4-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893201
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline?
The IUPAC name of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline (CID 82892931) is 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline?
The canonical SMILES for 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline is COc1cc(C)nc(CNc2c(C)cc(C)cc2Br)c1.
What is the InChIKey of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline?
The InChIKey is BHFHCGKRVZDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-5-11(2)16(15(17)6-10)18-9-13-8-14(20-4)7-12(3)19-13/h5-8,18H,9H2,1-4H3.
What are the key properties of 2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline?
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline has a molecular weight of 335.25 g/mol, XLogP of 4.39, 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]-4,6-dimethylaniline is sourced from PubChem (CID 82892931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).