1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine

C18H16BrNO — CID 106851546

IUPAC1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCNC(c1ccc(-c2ccccc2)cc1)c1ccoc1Br
InChIInChI=1S/C18H16BrNO/c1-20-17(16-11-12-21-18(16)19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,17,20H,1H3
InChIKeyUOPSYBDGNDCLKA-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.02
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine

1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine (PubChem CID 106851546) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
PubChem CID106851546
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCNC(c1ccc(-c2ccccc2)cc1)c1ccoc1Br
InChIInChI=1S/C18H16BrNO/c1-20-17(16-11-12-21-18(16)19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,17,20H,1H3
InChIKeyUOPSYBDGNDCLKA-UHFFFAOYSA-N
XLogP5.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.24
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 106857587
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291665
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
1-(2-bromofuran-3-yl)-N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 106851825
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
1-(2-bromofuran-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 106851788
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine (CID 106851546) is 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine is CNC(c1ccc(-c2ccccc2)cc1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine?
The InChIKey is UOPSYBDGNDCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-20-17(16-11-12-21-18(16)19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,17,20H,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine?
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine has a molecular weight of 342.24 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 106851546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).