1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine

C12H10BrClFNO — CID 81264965

IUPAC1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)o1)c1cccc(Cl)c1F
InChIInChI=1S/C12H10BrClFNO/c1-16-12(9-5-6-10(13)17-9)7-3-2-4-8(14)11(7)15/h2-6,12,16H,1H3
InChIKeyAZBGSYJTJHYSRQ-UHFFFAOYSA-N
MW318.57 g/mol
LogP4.14
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine

1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 81264965) has the molecular formula C12H10BrClFNO and a molecular weight of 318.57 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID81264965
Molecular FormulaC12H10BrClFNO
Molecular Weight318.57 g/mol
Exact Mass316.96
IUPAC Name1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)o1)c1cccc(Cl)c1F
InChIInChI=1S/C12H10BrClFNO/c1-16-12(9-5-6-10(13)17-9)7-3-2-4-8(14)11(7)15/h2-6,12,16H,1H3
InChIKeyAZBGSYJTJHYSRQ-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
1-(2-bromo-6-fluorophenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 114559081
[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329407
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(3-chloro-2-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 81267785
1-(7-bromo-1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264968
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 113437463

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine (CID 81264965) is 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(Br)o1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is AZBGSYJTJHYSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNO/c1-16-12(9-5-6-10(13)17-9)7-3-2-4-8(14)11(7)15/h2-6,12,16H,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 318.57 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 81264965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).