1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine

C15H17BrN2O2 — CID 103172321

IUPAC1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
SMILESCOc1ccnc(CNCc2ccccc2Br)c1OC
InChIInChI=1S/C15H17BrN2O2/c1-19-14-7-8-18-13(15(14)20-2)10-17-9-11-5-3-4-6-12(11)16/h3-8,17H,9-10H2,1-2H3
InChIKeyYDBJJLSHCQXVMM-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine

1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine (PubChem CID 103172321) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
PubChem CID103172321
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
SMILESCOc1ccnc(CNCc2ccccc2Br)c1OC
InChIInChI=1S/C15H17BrN2O2/c1-19-14-7-8-18-13(15(14)20-2)10-17-9-11-5-3-4-6-12(11)16/h3-8,17H,9-10H2,1-2H3
InChIKeyYDBJJLSHCQXVMM-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine 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

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-bromophenyl)methanamine
CID 61402039
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 103172287
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine (CID 103172321) is 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine is COc1ccnc(CNCc2ccccc2Br)c1OC.
What is the InChIKey of 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The InChIKey is YDBJJLSHCQXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-14-7-8-18-13(15(14)20-2)10-17-9-11-5-3-4-6-12(11)16/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine has a molecular weight of 337.22 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 103172321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).