1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C15H18BrNO2 — CID 115368972

IUPAC1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1OC)c1cc(C)oc1C
InChIInChI=1S/C15H18BrNO2/c1-9-7-13(10(2)19-9)15(17-3)12-6-5-11(16)8-14(12)18-4/h5-8,15,17H,1-4H3
InChIKeyLFUCUQKJCPVQQC-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.98
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 115368972) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID115368972
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1OC)c1cc(C)oc1C
InChIInChI=1S/C15H18BrNO2/c1-9-7-13(10(2)19-9)15(17-3)12-6-5-11(16)8-14(12)18-4/h5-8,15,17H,1-4H3
InChIKeyLFUCUQKJCPVQQC-UHFFFAOYSA-N
XLogP3.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840619
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302420
1-(4-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 115368891
1-(4-bromo-2-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115368888
1-(4-bromo-2,5-difluorophenyl)-1-(4-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 115368993
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 115368972) is 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1OC)c1cc(C)oc1C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is LFUCUQKJCPVQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-9-7-13(10(2)19-9)15(17-3)12-6-5-11(16)8-14(12)18-4/h5-8,15,17H,1-4H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115368972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).