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

C14H14BrClN2O — CID 81311545

IUPAC3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccc(C)cn1
InChIInChI=1S/C14H14BrClN2O/c1-9-3-4-11(17-7-9)8-18-13-6-10(16)5-12(15)14(13)19-2/h3-7,18H,8H2,1-2H3
InChIKeyUHHAXAJKINGVBK-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.43
Rot. Bonds4

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

3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 81311545) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID81311545
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccc(C)cn1
InChIInChI=1S/C14H14BrClN2O/c1-9-3-4-11(17-7-9)8-18-13-6-10(16)5-12(15)14(13)19-2/h3-7,18H,8H2,1-2H3
InChIKeyUHHAXAJKINGVBK-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-2-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755413
3-bromo-5-chloro-2-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43782325
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63431488
3-bromo-5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968459
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
CID 43689253
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81308332
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 81311545) is 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline is COc1c(Br)cc(Cl)cc1NCc1ccc(C)cn1.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is UHHAXAJKINGVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-9-3-4-11(17-7-9)8-18-13-6-10(16)5-12(15)14(13)19-2/h3-7,18H,8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 341.64 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 81311545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).