N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine

C15H16ClF2NO — CID 106687928

IUPACN-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)c1ccoc1Cl
InChIInChI=1S/C15H16ClF2NO/c1-2-6-19-14(11-5-7-20-15(11)16)9-10-3-4-12(17)13(18)8-10/h3-5,7-8,14,19H,2,6,9H2,1H3
InChIKeyKOAQLGPKNJZPKK-UHFFFAOYSA-N
MW299.75 g/mol
LogP4.49
Rot. Bonds6

About N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine

N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine (PubChem CID 106687928) has the molecular formula C15H16ClF2NO and a molecular weight of 299.75 g/mol. Its IUPAC name is N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
PubChem CID106687928
Molecular FormulaC15H16ClF2NO
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC NameN-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)c1ccoc1Cl
InChIInChI=1S/C15H16ClF2NO/c1-2-6-19-14(11-5-7-20-15(11)16)9-10-3-4-12(17)13(18)8-10/h3-5,7-8,14,19H,2,6,9H2,1H3
InChIKeyKOAQLGPKNJZPKK-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699
N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
N-[2-(4-chloro-3-fluorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 107892255
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 82922563
N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine (CID 106687928) is N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)c(F)c1)c1ccoc1Cl.
What is the InChIKey of N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is KOAQLGPKNJZPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NO/c1-2-6-19-14(11-5-7-20-15(11)16)9-10-3-4-12(17)13(18)8-10/h3-5,7-8,14,19H,2,6,9H2,1H3.
What are the key properties of N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine?
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 299.75 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106687928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).