N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine

C18H23BrN2O3 — CID 66533905

IUPACN-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
SMILESCCOc1cc(Br)c(CNCCOc2ccccn2)cc1OCC
InChIInChI=1S/C18H23BrN2O3/c1-3-22-16-11-14(15(19)12-17(16)23-4-2)13-20-9-10-24-18-7-5-6-8-21-18/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3
InChIKeyDBSLLZNQUHLKCP-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.81
Rot. Bonds10

About N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine

N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66533905) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66533905
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC NameN-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
SMILESCCOc1cc(Br)c(CNCCOc2ccccn2)cc1OCC
InChIInChI=1S/C18H23BrN2O3/c1-3-22-16-11-14(15(19)12-17(16)23-4-2)13-20-9-10-24-18-7-5-6-8-21-18/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3
InChIKeyDBSLLZNQUHLKCP-UHFFFAOYSA-N
XLogP3.81
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66534504
N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526110
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]acetamide
CID 66531361
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525983
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66533831
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66532264
N-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525941

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine (CID 66533905) is N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine is CCOc1cc(Br)c(CNCCOc2ccccn2)cc1OCC.
What is the InChIKey of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is DBSLLZNQUHLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c1-3-22-16-11-14(15(19)12-17(16)23-4-2)13-20-9-10-24-18-7-5-6-8-21-18/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3.
What are the key properties of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 395.30 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66533905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).