N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

C14H14BrClN2O — CID 66161046

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2cc(Cl)ccc2Br)cn1
InChIInChI=1S/C14H14BrClN2O/c1-19-14-5-2-10(8-18-14)7-17-9-11-6-12(16)3-4-13(11)15/h2-6,8,17H,7,9H2,1H3
InChIKeyGSKKEENIRGKLNV-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.80
Rot. Bonds5

About N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 66161046) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID66161046
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2cc(Cl)ccc2Br)cn1
InChIInChI=1S/C14H14BrClN2O/c1-19-14-5-2-10(8-18-14)7-17-9-11-6-12(16)3-4-13(11)15/h2-6,8,17H,7,9H2,1H3
InChIKeyGSKKEENIRGKLNV-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 106263440
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66159083
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712167
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712760
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (CID 66161046) is N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is COc1ccc(CNCc2cc(Cl)ccc2Br)cn1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is GSKKEENIRGKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-19-14-5-2-10(8-18-14)7-17-9-11-6-12(16)3-4-13(11)15/h2-6,8,17H,7,9H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 341.64 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 66161046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).