N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine

C15H16Cl3NO — CID 106691671

IUPACN-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)c1ccoc1Cl
InChIInChI=1S/C15H16Cl3NO/c1-2-7-19-14(10-6-8-20-15(10)18)9-11-12(16)4-3-5-13(11)17/h3-6,8,14,19H,2,7,9H2,1H3
InChIKeyRVFIWAPIAWLWHA-UHFFFAOYSA-N
MW332.66 g/mol
LogP5.52
Rot. Bonds6

About N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine

N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 106691671) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
PubChem CID106691671
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC NameN-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)c1ccoc1Cl
InChIInChI=1S/C15H16Cl3NO/c1-2-7-19-14(10-6-8-20-15(10)18)9-11-12(16)4-3-5-13(11)17/h3-6,8,14,19H,2,7,9H2,1H3
InChIKeyRVFIWAPIAWLWHA-UHFFFAOYSA-N
XLogP5.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 55.52
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
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699
N-[2-(2,6-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115830226
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine (CID 106691671) is N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)cccc1Cl)c1ccoc1Cl.
What is the InChIKey of N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is RVFIWAPIAWLWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3NO/c1-2-7-19-14(10-6-8-20-15(10)18)9-11-12(16)4-3-5-13(11)17/h3-6,8,14,19H,2,7,9H2,1H3.
What are the key properties of N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 332.66 g/mol, XLogP of 5.52, 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-(2,6-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106691671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).