N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine

C21H26BrFN2O3 — CID 66538540

IUPACN-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1ccc(Br)c(CNCCN2CCOCC2)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H26BrFN2O3/c1-26-20-7-6-19(22)18(14-24-8-9-25-10-12-27-13-11-25)21(20)28-15-16-2-4-17(23)5-3-16/h2-7,24H,8-15H2,1H3
InChIKeyRDYOEMPKKDLASK-UHFFFAOYSA-N
MW453.35 g/mol
LogP3.60
Rot. Bonds9

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

N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 66538540) has the molecular formula C21H26BrFN2O3 and a molecular weight of 453.35 g/mol. Its IUPAC name is N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
PubChem CID66538540
Molecular FormulaC21H26BrFN2O3
Molecular Weight453.35 g/mol
Exact Mass452.11
IUPAC NameN-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1ccc(Br)c(CNCCN2CCOCC2)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H26BrFN2O3/c1-26-20-7-6-19(22)18(14-24-8-9-25-10-12-27-13-11-25)21(20)28-15-16-2-4-17(23)5-3-16/h2-7,24H,8-15H2,1H3
InChIKeyRDYOEMPKKDLASK-UHFFFAOYSA-N
XLogP3.60
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 53.60
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-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538545
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295188
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
CID 66535944
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535859
2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539048
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535800
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722087
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295333
1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66544199
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66543268

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine (CID 66538540) is N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine is COc1ccc(Br)c(CNCCN2CCOCC2)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is RDYOEMPKKDLASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrFN2O3/c1-26-20-7-6-19(22)18(14-24-8-9-25-10-12-27-13-11-25)21(20)28-15-16-2-4-17(23)5-3-16/h2-7,24H,8-15H2,1H3.
What are the key properties of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 453.35 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 66538540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).