1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine

C10H16ClNO — CID 112709867

IUPAC1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc(Cl)o1
InChIInChI=1S/C10H16ClNO/c1-7(2)6-8(12-3)9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyRTRZPMLXOVRDDF-UHFFFAOYSA-N
MW201.70 g/mol
LogP3.24
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine

1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 112709867) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID112709867
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc(Cl)o1
InChIInChI=1S/C10H16ClNO/c1-7(2)6-8(12-3)9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyRTRZPMLXOVRDDF-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 106691674
1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106688071
1-(5-chlorofuran-2-yl)-2-ethoxy-N-methylethanamine
CID 106692547
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
CID 114201829
1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 106692847
2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 106691825
1-(5-chlorofuran-2-yl)propylhydrazine
CID 106694131
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225805
1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 106691831

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine (CID 112709867) is 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is RTRZPMLXOVRDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-7(2)6-8(12-3)9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine?
1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 201.70 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 112709867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).