N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine

C22H29BrN2O3 — CID 66538545

IUPACN-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1ccc(Br)c(CNCCN2CCOCC2)c1OCc1ccc(C)cc1
InChIInChI=1S/C22H29BrN2O3/c1-17-3-5-18(6-4-17)16-28-22-19(20(23)7-8-21(22)26-2)15-24-9-10-25-11-13-27-14-12-25/h3-8,24H,9-16H2,1-2H3
InChIKeyWJTXOSHPFJWHAI-UHFFFAOYSA-N
MW449.39 g/mol
LogP3.77
Rot. Bonds9

About N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine

N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 66538545) has the molecular formula C22H29BrN2O3 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
PubChem CID66538545
Molecular FormulaC22H29BrN2O3
Molecular Weight449.39 g/mol
Exact Mass448.14
IUPAC NameN-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1ccc(Br)c(CNCCN2CCOCC2)c1OCc1ccc(C)cc1
InChIInChI=1S/C22H29BrN2O3/c1-17-3-5-18(6-4-17)16-28-22-19(20(23)7-8-21(22)26-2)15-24-9-10-25-11-13-27-14-12-25/h3-8,24H,9-16H2,1-2H3
InChIKeyWJTXOSHPFJWHAI-UHFFFAOYSA-N
XLogP3.77
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 53.77
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-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538540
2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539048
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 66538543
4-[2-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide
CID 66536287
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535859
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537718
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055552
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 66536208
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 66536199
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66536256

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine (CID 66538545) is N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine is COc1ccc(Br)c(CNCCN2CCOCC2)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is WJTXOSHPFJWHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN2O3/c1-17-3-5-18(6-4-17)16-28-22-19(20(23)7-8-21(22)26-2)15-24-9-10-25-11-13-27-14-12-25/h3-8,24H,9-16H2,1-2H3.
What are the key properties of N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 449.39 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 66538545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).