N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine

C24H26BrNO2 — CID 66536633

IUPACN-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
SMILESCOc1ccc(Br)c(CNCCc2ccccc2)c1OCc1ccccc1C
InChIInChI=1S/C24H26BrNO2/c1-18-8-6-7-11-20(18)17-28-24-21(22(25)12-13-23(24)27-2)16-26-15-14-19-9-4-3-5-10-19/h3-13,26H,14-17H2,1-2H3
InChIKeyRHSFEGOHNITPRZ-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.68
Rot. Bonds9

About N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine

N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine (PubChem CID 66536633) has the molecular formula C24H26BrNO2 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
PubChem CID66536633
Molecular FormulaC24H26BrNO2
Molecular Weight440.38 g/mol
Exact Mass439.11
IUPAC NameN-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
SMILESCOc1ccc(Br)c(CNCCc2ccccc2)c1OCc1ccccc1C
InChIInChI=1S/C24H26BrNO2/c1-18-8-6-7-11-20(18)17-28-24-21(22(25)12-13-23(24)27-2)16-26-15-14-19-9-4-3-5-10-19/h3-13,26H,14-17H2,1-2H3
InChIKeyRHSFEGOHNITPRZ-UHFFFAOYSA-N
XLogP5.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-methylphenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 66536671
4-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536692
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 66536655
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66536702
4-[2-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 66536443
2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536642
N-[[6-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66536682
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 66535982
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 66536962
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine (CID 66536633) is N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine is COc1ccc(Br)c(CNCCc2ccccc2)c1OCc1ccccc1C.
What is the InChIKey of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine?
The InChIKey is RHSFEGOHNITPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO2/c1-18-8-6-7-11-20(18)17-28-24-21(22(25)12-13-23(24)27-2)16-26-15-14-19-9-4-3-5-10-19/h3-13,26H,14-17H2,1-2H3.
What are the key properties of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine?
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine has a molecular weight of 440.38 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 66536633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).