N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine

C23H24BrNO2 — CID 66535464

IUPACN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(Br)c(CNC(C)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C23H24BrNO2/c1-17(19-11-7-4-8-12-19)25-15-20-21(24)13-14-22(26-2)23(20)27-16-18-9-5-3-6-10-18/h3-14,17,25H,15-16H2,1-2H3
InChIKeyQHQXIGVBECUHJN-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.89
Rot. Bonds8

About N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine

N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 66535464) has the molecular formula C23H24BrNO2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine
PubChem CID66535464
Molecular FormulaC23H24BrNO2
Molecular Weight426.35 g/mol
Exact Mass425.10
IUPAC NameN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(Br)c(CNC(C)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C23H24BrNO2/c1-17(19-11-7-4-8-12-19)25-15-20-21(24)13-14-22(26-2)23(20)27-16-18-9-5-3-6-10-18/h3-14,17,25H,15-16H2,1-2H3
InChIKeyQHQXIGVBECUHJN-UHFFFAOYSA-N
XLogP5.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66536162
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 66536671
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3,5-dichloroaniline
CID 66543309
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66535478
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543392
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66536604
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine (CID 66535464) is N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine is COc1ccc(Br)c(CNC(C)c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is QHQXIGVBECUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO2/c1-17(19-11-7-4-8-12-19)25-15-20-21(24)13-14-22(26-2)23(20)27-16-18-9-5-3-6-10-18/h3-14,17,25H,15-16H2,1-2H3.
What are the key properties of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine?
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 426.35 g/mol, XLogP of 5.89, 8 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-phenylmethoxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 66535464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).