1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine

C17H20BrNO — CID 102772902

IUPAC1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cccc(C)c2C)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-5-4-6-17(13(12)2)20-11-15-8-7-14(10-19-3)9-16(15)18/h4-9,19H,10-11H2,1-3H3
InChIKeyMWWZCJMVNHGQGN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.36
Rot. Bonds5

About 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 102772902) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID102772902
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cccc(C)c2C)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-5-4-6-17(13(12)2)20-11-15-8-7-14(10-19-3)9-16(15)18/h4-9,19H,10-11H2,1-3H3
InChIKeyMWWZCJMVNHGQGN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-[(4-fluoro-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773941
1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772944
1-[3-bromo-4-[(3,4-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773000
1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432348
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
1-[3-bromo-4-(propoxymethyl)phenyl]-N-methylmethanamine
CID 102772617
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
1-[3-bromo-4-[(3-chlorophenyl)methoxymethyl]phenyl]-N-methylmethanamine
CID 102773716
N-[[3-bromo-4-[(2-bromophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102772693
N-[[3-bromo-4-[(5-chloro-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 102773758
1-[3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
CID 102773751

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine (CID 102772902) is 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2cccc(C)c2C)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is MWWZCJMVNHGQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-5-4-6-17(13(12)2)20-11-15-8-7-14(10-19-3)9-16(15)18/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102772902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).