1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine

C16H19BrN2O2 — CID 43626726

IUPAC1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H19BrN2O2/c1-10-5-14(20-3)15(21-4)7-13(10)16(18-2)11-6-12(17)9-19-8-11/h5-9,16,18H,1-4H3
InChIKeyYAZGWCOIDDREFG-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.48
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine

1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 43626726) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID43626726
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H19BrN2O2/c1-10-5-14(20-3)15(21-4)7-13(10)16(18-2)11-6-12(17)9-19-8-11/h5-9,16,18H,1-4H3
InChIKeyYAZGWCOIDDREFG-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482761
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788
[(5-bromo-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105251229
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642
1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482882
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022947
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626747
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
[(5-bromo-3-pyridinyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105251245
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine (CID 43626726) is 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1cncc(Br)c1)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is YAZGWCOIDDREFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-5-14(20-3)15(21-4)7-13(10)16(18-2)11-6-12(17)9-19-8-11/h5-9,16,18H,1-4H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 351.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43626726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).