1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine

C14H15Br2NO2 — CID 106851843

IUPAC1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)cc1OC)c1ccoc1Br
InChIInChI=1S/C14H15Br2NO2/c1-8-6-12(18-3)10(7-11(8)15)13(17-2)9-4-5-19-14(9)16/h4-7,13,17H,1-3H3
InChIKeyYHQDSKMLWTUKFR-UHFFFAOYSA-N
MW389.09 g/mol
LogP4.43
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 106851843) has the molecular formula C14H15Br2NO2 and a molecular weight of 389.09 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID106851843
Molecular FormulaC14H15Br2NO2
Molecular Weight389.09 g/mol
Exact Mass386.95
IUPAC Name1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)cc1OC)c1ccoc1Br
InChIInChI=1S/C14H15Br2NO2/c1-8-6-12(18-3)10(7-11(8)15)13(17-2)9-4-5-19-14(9)16/h4-7,13,17H,1-3H3
InChIKeyYHQDSKMLWTUKFR-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106852003
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 65433732
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 65438955
1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 106851550
1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433731
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(5-chloro-2-methylphenyl)-N-methylmethanamine
CID 82871128
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65438567

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine (CID 106851843) is 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1cc(Br)c(C)cc1OC)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is YHQDSKMLWTUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2/c1-8-6-12(18-3)10(7-11(8)15)13(17-2)9-4-5-19-14(9)16/h4-7,13,17H,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 389.09 g/mol, XLogP of 4.43, 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-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106851843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).