N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

C23H25BrN2O3 — CID 66534504

IUPACN-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESCOc1cc(CNCCOc2ccccn2)c(Br)cc1OCc1ccc(C)cc1
InChIInChI=1S/C23H25BrN2O3/c1-17-6-8-18(9-7-17)16-29-22-14-20(24)19(13-21(22)27-2)15-25-11-12-28-23-5-3-4-10-26-23/h3-10,13-14,25H,11-12,15-16H2,1-2H3
InChIKeyFCQPGZGSMCROKL-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.91
Rot. Bonds10

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

N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66534504) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66534504
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC NameN-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESCOc1cc(CNCCOc2ccccn2)c(Br)cc1OCc1ccc(C)cc1
InChIInChI=1S/C23H25BrN2O3/c1-17-6-8-18(9-7-17)16-29-22-14-20(24)19(13-21(22)27-2)15-25-11-12-28-23-5-3-4-10-26-23/h3-10,13-14,25H,11-12,15-16H2,1-2H3
InChIKeyFCQPGZGSMCROKL-UHFFFAOYSA-N
XLogP4.91
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine with MolForge

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Related Compounds

N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66529856
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66534596
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66533905
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526323
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]prop-2-en-1-amine
CID 66534484
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535129
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535800
N-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525914
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,2,4-triazol-4-amine
CID 66544594
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66544478

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (CID 66534504) is N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is COc1cc(CNCCOc2ccccn2)c(Br)cc1OCc1ccc(C)cc1.
What is the InChIKey of N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is FCQPGZGSMCROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3/c1-17-6-8-18(9-7-17)16-29-22-14-20(24)19(13-21(22)27-2)15-25-11-12-28-23-5-3-4-10-26-23/h3-10,13-14,25H,11-12,15-16H2,1-2H3.
What are the key properties of N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 457.37 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66534504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).