1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine

C10H12ClNO — CID 106691599

IUPAC1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO/c1-3-4-5-9(12-2)8-6-7-13-10(8)11/h6-7,9,12H,5H2,1-2H3
InChIKeyJRCDRQDFMSJMDL-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.61
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine

1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine (PubChem CID 106691599) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine
PubChem CID106691599
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO/c1-3-4-5-9(12-2)8-6-7-13-10(8)11/h6-7,9,12H,5H2,1-2H3
InChIKeyJRCDRQDFMSJMDL-UHFFFAOYSA-N
XLogP2.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 115819172
1-(3-bromo-2-chlorophenyl)-N-methylpent-3-yn-1-amine
CID 115819876
1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine
CID 106691690
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
1-(4-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107992287
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 105112715
1-(3-chloro-4-methylphenyl)-N-methylpent-3-yn-1-amine
CID 115820022
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 106692263
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine (CID 106691599) is 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine is CC#CCC(NC)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine?
The InChIKey is JRCDRQDFMSJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-4-5-9(12-2)8-6-7-13-10(8)11/h6-7,9,12H,5H2,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine?
1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine is sourced from PubChem (CID 106691599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).