1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine

C17H20BrNO — CID 61390155

IUPAC1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrNO/c1-12-7-13(2)9-14(8-12)11-20-17-15(10-19-3)5-4-6-16(17)18/h4-9,19H,10-11H2,1-3H3
InChIKeyLIDJKTWOZMXGBP-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.36
Rot. Bonds5

About 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61390155) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61390155
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrNO/c1-12-7-13(2)9-14(8-12)11-20-17-15(10-19-3)5-4-6-16(17)18/h4-9,19H,10-11H2,1-3H3
InChIKeyLIDJKTWOZMXGBP-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-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79703239
1-[3,5-dibromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741740
4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887268
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
N-[[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63499383
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
N-[[3-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500837
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine (CID 61390155) is 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is LIDJKTWOZMXGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-7-13(2)9-14(8-12)11-20-17-15(10-19-3)5-4-6-16(17)18/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]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-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61390155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).