1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine

C16H18BrNO — CID 107285914

IUPAC1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(Br)ccc2C)cc1
InChIInChI=1S/C16H18BrNO/c1-12-3-8-15(17)9-16(12)19-11-14-6-4-13(5-7-14)10-18-2/h3-9,18H,10-11H2,1-2H3
InChIKeyNYSUQHYYRHSODJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.06
Rot. Bonds5

About 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine

1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 107285914) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID107285914
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(Br)ccc2C)cc1
InChIInChI=1S/C16H18BrNO/c1-12-3-8-15(17)9-16(12)19-11-14-6-4-13(5-7-14)10-18-2/h3-9,18H,10-11H2,1-2H3
InChIKeyNYSUQHYYRHSODJ-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
5-[(5-bromo-2-methylphenoxy)methyl]-N-methyl-2-nitroaniline
CID 107285483
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107661048
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
CID 107284300
1-[5-bromo-2-[(4-bromophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115960973

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine (CID 107285914) is 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2cc(Br)ccc2C)cc1.
What is the InChIKey of 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is NYSUQHYYRHSODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-3-8-15(17)9-16(12)19-11-14-6-4-13(5-7-14)10-18-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107285914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).