1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine

C13H13Br2NO — CID 81474055

IUPAC1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H13Br2NO/c1-8-6-11(15)9(7-10(8)14)13(16-2)12-4-3-5-17-12/h3-7,13,16H,1-2H3
InChIKeyZCPQRYQRCRKARB-UHFFFAOYSA-N
MW359.06 g/mol
LogP4.42
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine

1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 81474055) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID81474055
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H13Br2NO/c1-8-6-11(15)9(7-10(8)14)13(16-2)12-4-3-5-17-12/h3-7,13,16H,1-2H3
InChIKeyZCPQRYQRCRKARB-UHFFFAOYSA-N
XLogP4.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.06
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
CID 81473673
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 106857596
1-(2,5-dibromo-4-methylphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82797769
1-(2,6-dimethyl-3-pyridinyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82237737
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241
1-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792126
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine (CID 81474055) is 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is ZCPQRYQRCRKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-8-6-11(15)9(7-10(8)14)13(16-2)12-4-3-5-17-12/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 359.06 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81474055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).