1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine

C12H20ClNO — CID 106691699

IUPAC1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccoc1Cl
InChIInChI=1S/C12H20ClNO/c1-3-5-6-11(14-8-4-2)10-7-9-15-12(10)13/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyIFJYEJOJZVAYPI-UHFFFAOYSA-N
MW229.75 g/mol
LogP4.16
Rot. Bonds7

About 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine

1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine (PubChem CID 106691699) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
PubChem CID106691699
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccoc1Cl
InChIInChI=1S/C12H20ClNO/c1-3-5-6-11(14-8-4-2)10-7-9-15-12(10)13/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyIFJYEJOJZVAYPI-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine
CID 106691690
1-(2-chlorofuran-3-yl)octylhydrazine
CID 106694263
1-(2-chlorofuran-3-yl)nonylhydrazine
CID 106694271
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine (CID 106691699) is 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine is CCCCC(NCCC)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine?
The InChIKey is IFJYEJOJZVAYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-3-5-6-11(14-8-4-2)10-7-9-15-12(10)13/h7,9,11,14H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine?
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 4.16, 7 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-propylpentan-1-amine is sourced from PubChem (CID 106691699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).