N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

C21H19BrCl2N2O2 — CID 66525916

IUPACN-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1ccc(COc2ccc(Br)cc2CNCCOc2ccccn2)cc1Cl
InChIInChI=1S/C21H19BrCl2N2O2/c22-17-5-7-20(28-14-15-4-6-18(23)19(24)11-15)16(12-17)13-25-9-10-27-21-3-1-2-8-26-21/h1-8,11-12,25H,9-10,13-14H2
InChIKeyNTSKQSJXXRBFPY-UHFFFAOYSA-N
MW482.21 g/mol
LogP5.90
Rot. Bonds9

About N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66525916) has the molecular formula C21H19BrCl2N2O2 and a molecular weight of 482.21 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66525916
Molecular FormulaC21H19BrCl2N2O2
Molecular Weight482.21 g/mol
Exact Mass480.00
IUPAC NameN-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1ccc(COc2ccc(Br)cc2CNCCOc2ccccn2)cc1Cl
InChIInChI=1S/C21H19BrCl2N2O2/c22-17-5-7-20(28-14-15-4-6-18(23)19(24)11-15)16(12-17)13-25-9-10-27-21-3-1-2-8-26-21/h1-8,11-12,25H,9-10,13-14H2
InChIKeyNTSKQSJXXRBFPY-UHFFFAOYSA-N
XLogP5.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.21
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine 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-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526751
N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526352
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66534504
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66529856
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (CID 66525916) is N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is Clc1ccc(COc2ccc(Br)cc2CNCCOc2ccccn2)cc1Cl.
What is the InChIKey of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is NTSKQSJXXRBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrCl2N2O2/c22-17-5-7-20(28-14-15-4-6-18(23)19(24)11-15)16(12-17)13-25-9-10-27-21-3-1-2-8-26-21/h1-8,11-12,25H,9-10,13-14H2.
What are the key properties of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 482.21 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66525916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).