1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine

C12H13ClN2O — CID 106688071

IUPAC1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccc(Cl)o1
InChIInChI=1S/C12H13ClN2O/c1-14-10(11-2-3-12(13)16-11)8-9-4-6-15-7-5-9/h2-7,10,14H,8H2,1H3
InChIKeyHYPBNEPGDFVYME-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.83
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine

1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 106688071) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID106688071
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccc(Cl)o1
InChIInChI=1S/C12H13ClN2O/c1-14-10(11-2-3-12(13)16-11)8-9-4-6-15-7-5-9/h2-7,10,14H,8H2,1H3
InChIKeyHYPBNEPGDFVYME-UHFFFAOYSA-N
XLogP2.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 106691674
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-(5-chlorofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 106693011
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
1-(5-chlorofuran-2-yl)-2-ethoxy-N-methylethanamine
CID 106692547
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 106694448
2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine (CID 106688071) is 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is HYPBNEPGDFVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-14-10(11-2-3-12(13)16-11)8-9-4-6-15-7-5-9/h2-7,10,14H,8H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine?
1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 236.70 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106688071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).