1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine

C16H18BrNO2 — CID 43481084

IUPAC1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-18-16(11-4-6-13(17)7-5-11)12-8-14(19-2)10-15(9-12)20-3/h4-10,16,18H,1-3H3
InChIKeyAVYQVIGIANNTIX-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine

1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 43481084) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
PubChem CID43481084
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-18-16(11-4-6-13(17)7-5-11)12-8-14(19-2)10-15(9-12)20-3/h4-10,16,18H,1-3H3
InChIKeyAVYQVIGIANNTIX-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
1-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481310
1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105013631
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123
1-(3,5-dimethoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854902
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481665
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine (CID 43481084) is 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is AVYQVIGIANNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-18-16(11-4-6-13(17)7-5-11)12-8-14(19-2)10-15(9-12)20-3/h4-10,16,18H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).