2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline

C14H14BrClN2O2 — CID 103478939

IUPAC2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
SMILESCOc1ccnc(CNc2cccc(Cl)c2Br)c1OC
InChIInChI=1S/C14H14BrClN2O2/c1-19-12-6-7-17-11(14(12)20-2)8-18-10-5-3-4-9(16)13(10)15/h3-7,18H,8H2,1-2H3
InChIKeyHJKVHEHCHALRCJ-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.13
Rot. Bonds5

About 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline

2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline (PubChem CID 103478939) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
PubChem CID103478939
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
SMILESCOc1ccnc(CNc2cccc(Cl)c2Br)c1OC
InChIInChI=1S/C14H14BrClN2O2/c1-19-12-6-7-17-11(14(12)20-2)8-18-10-5-3-4-9(16)13(10)15/h3-7,18H,8H2,1-2H3
InChIKeyHJKVHEHCHALRCJ-UHFFFAOYSA-N
XLogP4.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline 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

3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
CID 103172686
2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile
CID 103172165
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline (CID 103478939) is 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline is COc1ccnc(CNc2cccc(Cl)c2Br)c1OC.
What is the InChIKey of 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
The InChIKey is HJKVHEHCHALRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-19-12-6-7-17-11(14(12)20-2)8-18-10-5-3-4-9(16)13(10)15/h3-7,18H,8H2,1-2H3.
What are the key properties of 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline has a molecular weight of 357.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 103478939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).