1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine

C12H12BrClN2O — CID 106854830

IUPAC1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1ccoc1Br
InChIInChI=1S/C12H12BrClN2O/c1-15-11(9-3-5-17-12(9)13)6-8-2-4-16-7-10(8)14/h2-5,7,11,15H,6H2,1H3
InChIKeyGIYCWBTVJQKSBZ-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine

1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine (PubChem CID 106854830) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
PubChem CID106854830
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1ccoc1Br
InChIInChI=1S/C12H12BrClN2O/c1-15-11(9-3-5-17-12(9)13)6-8-2-4-16-7-10(8)14/h2-5,7,11,15H,6H2,1H3
InChIKeyGIYCWBTVJQKSBZ-UHFFFAOYSA-N
XLogP3.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655591
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 106858959
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
CID 115984879
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812500
[1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 106859708
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine (CID 106854830) is 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
The InChIKey is GIYCWBTVJQKSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-15-11(9-3-5-17-12(9)13)6-8-2-4-16-7-10(8)14/h2-5,7,11,15H,6H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine has a molecular weight of 315.60 g/mol, XLogP of 3.59, 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)-2-(3-chloro-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 106854830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).