1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

C16H18BrNO — CID 105092588

IUPAC1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-11-4-6-12(7-5-11)16(18-2)14-10-13(19-3)8-9-15(14)17/h4-10,16,18H,1-3H3
InChIKeyPRZFNQJSNZNCOZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 105092588) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID105092588
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-11-4-6-12(7-5-11)16(18-2)14-10-13(19-3)8-9-15(14)17/h4-10,16,18H,1-3H3
InChIKeyPRZFNQJSNZNCOZ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121873
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 105092588) is 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is PRZFNQJSNZNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-4-6-12(7-5-11)16(18-2)14-10-13(19-3)8-9-15(14)17/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 320.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 105092588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).