1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

C17H20BrNO2 — CID 65321998

IUPAC1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1cc(OC)ccc1Br
InChIInChI=1S/C17H20BrNO2/c1-12-4-7-17(13(8-12)10-19-2)21-11-14-9-15(20-3)5-6-16(14)18/h4-9,19H,10-11H2,1-3H3
InChIKeyHHWANYFCNVVWDY-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.06
Rot. Bonds6

About 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (PubChem CID 65321998) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
PubChem CID65321998
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1cc(OC)ccc1Br
InChIInChI=1S/C17H20BrNO2/c1-12-4-7-17(13(8-12)10-19-2)21-11-14-9-15(20-3)5-6-16(14)18/h4-9,19H,10-11H2,1-3H3
InChIKeyHHWANYFCNVVWDY-UHFFFAOYSA-N
XLogP4.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (CID 65321998) is 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OCc1cc(OC)ccc1Br.
What is the InChIKey of 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The InChIKey is HHWANYFCNVVWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12-4-7-17(13(8-12)10-19-2)21-11-14-9-15(20-3)5-6-16(14)18/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 65321998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).