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

C12H10BrClFNO — CID 64714519

IUPAC1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1F)c1occc1Br
InChIInChI=1S/C12H10BrClFNO/c1-16-11(12-8(13)5-6-17-12)7-3-2-4-9(14)10(7)15/h2-6,11,16H,1H3
InChIKeyGNZALVBSBHNHMS-UHFFFAOYSA-N
MW318.57 g/mol
LogP4.14
Rot. Bonds3

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

1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 64714519) has the molecular formula C12H10BrClFNO and a molecular weight of 318.57 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID64714519
Molecular FormulaC12H10BrClFNO
Molecular Weight318.57 g/mol
Exact Mass316.96
IUPAC Name1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1F)c1occc1Br
InChIInChI=1S/C12H10BrClFNO/c1-16-11(12-8(13)5-6-17-12)7-3-2-4-9(14)10(7)15/h2-6,11,16H,1H3
InChIKeyGNZALVBSBHNHMS-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

(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264965
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
CID 114894776
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115861624
N-[(3-bromofuran-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861384
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(7-bromo-1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264968
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114653033

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine (CID 64714519) is 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is GNZALVBSBHNHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNO/c1-16-11(12-8(13)5-6-17-12)7-3-2-4-9(14)10(7)15/h2-6,11,16H,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(3-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-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 64714519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).