1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

C14H16BrNO2 — CID 106851550

IUPAC1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)c1ccoc1Br
InChIInChI=1S/C14H16BrNO2/c1-9-8-10(17-3)4-5-11(9)13(16-2)12-6-7-18-14(12)15/h4-8,13,16H,1-3H3
InChIKeyFXQIFNYRIXNUEN-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 106851550) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID106851550
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)c1ccoc1Br
InChIInChI=1S/C14H16BrNO2/c1-9-8-10(17-3)4-5-11(9)13(16-2)12-6-7-18-14(12)15/h4-8,13,16H,1-3H3
InChIKeyFXQIFNYRIXNUEN-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106852003
[(2-bromofuran-3-yl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 106860090
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114878225
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 106851847
1-(2-bromofuran-3-yl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 106851575

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 106851550) is 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1C)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is FXQIFNYRIXNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-8-10(17-3)4-5-11(9)13(16-2)12-6-7-18-14(12)15/h4-8,13,16H,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106851550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).