N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine

C23H23BrFNO2 — CID 66535859

IUPACN-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccc(Br)c(CNCc2ccc(C)cc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C23H23BrFNO2/c1-16-3-5-17(6-4-16)13-26-14-20-21(24)11-12-22(27-2)23(20)28-15-18-7-9-19(25)10-8-18/h3-12,26H,13-15H2,1-2H3
InChIKeyMOQUTCQWNOZPTR-UHFFFAOYSA-N
MW444.34 g/mol
LogP5.77
Rot. Bonds8

About N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine

N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 66535859) has the molecular formula C23H23BrFNO2 and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID66535859
Molecular FormulaC23H23BrFNO2
Molecular Weight444.34 g/mol
Exact Mass443.09
IUPAC NameN-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccc(Br)c(CNCc2ccc(C)cc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C23H23BrFNO2/c1-16-3-5-17(6-4-16)13-26-14-20-21(24)11-12-22(27-2)23(20)28-15-18-7-9-19(25)10-8-18/h3-12,26H,13-15H2,1-2H3
InChIKeyMOQUTCQWNOZPTR-UHFFFAOYSA-N
XLogP5.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.34
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine with MolForge

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Related Compounds

N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66536874
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 66538543
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66536038
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
CID 66535944
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538563
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 66536208
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538540
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535800
4-[2-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide
CID 66536287
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine (CID 66535859) is N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine is COc1ccc(Br)c(CNCc2ccc(C)cc2)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is MOQUTCQWNOZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFNO2/c1-16-3-5-17(6-4-16)13-26-14-20-21(24)11-12-22(27-2)23(20)28-15-18-7-9-19(25)10-8-18/h3-12,26H,13-15H2,1-2H3.
What are the key properties of N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine?
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 444.34 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 66535859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).