1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine

C17H20BrNO2 — CID 105013631

IUPAC1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cc(OC)c1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H20BrNO2/c1-11-7-12(5-6-16(11)18)17(19-2)13-8-14(20-3)10-15(9-13)21-4/h5-10,17,19H,1-4H3
InChIKeyPEOVMZRABDKGFB-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.08
Rot. Bonds5

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

1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 105013631) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
PubChem CID105013631
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cc(OC)c1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H20BrNO2/c1-11-7-12(5-6-16(11)18)17(19-2)13-8-14(20-3)10-15(9-13)21-4/h5-10,17,19H,1-4H3
InChIKeyPEOVMZRABDKGFB-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481084
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481310
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(3,5-dimethoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854902
1-(4-bromo-3-chlorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 81289992
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 113396708
1-(3,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850471

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine (CID 105013631) is 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine is CNC(c1cc(OC)cc(OC)c1)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is PEOVMZRABDKGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-7-12(5-6-16(11)18)17(19-2)13-8-14(20-3)10-15(9-13)21-4/h5-10,17,19H,1-4H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105013631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).