N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline

C14H15BrN2O — CID 112582167

IUPACN-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2cccc(Br)n2)c1
InChIInChI=1S/C14H15BrN2O/c1-2-18-13-7-3-5-11(9-13)16-10-12-6-4-8-14(15)17-12/h3-9,16H,2,10H2,1H3
InChIKeyBFRXDVWONMTYLH-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.85
Rot. Bonds5

About N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline

N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline (PubChem CID 112582167) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
PubChem CID112582167
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2cccc(Br)n2)c1
InChIInChI=1S/C14H15BrN2O/c1-2-18-13-7-3-5-11(9-13)16-10-12-6-4-8-14(15)17-12/h3-9,16H,2,10H2,1H3
InChIKeyBFRXDVWONMTYLH-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline 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-[(6-bromo-2-pyridinyl)methyl]-3-(2-methylpropoxy)aniline
CID 115938141
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
N-[(6-bromo-2-pyridinyl)methyl]-4-ethoxy-2-nitroaniline
CID 115938093
N-[(2-bromophenyl)methyl]-3-ethoxyaniline
CID 54865434
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxyaniline
CID 54864892
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995
N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 103817901
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
3-ethoxy-N-propylaniline
CID 54800867
N-[(6-bromo-2-pyridinyl)methyl]-3-iodo-4-methylaniline
CID 112582027

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline (CID 112582167) is N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2cccc(Br)n2)c1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline?
The InChIKey is BFRXDVWONMTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-18-13-7-3-5-11(9-13)16-10-12-6-4-8-14(15)17-12/h3-9,16H,2,10H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline?
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline has a molecular weight of 307.19 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 112582167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).