N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine

C16H19Cl2NO — CID 115830503

IUPACN-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)c1ccc(C)o1
InChIInChI=1S/C16H19Cl2NO/c1-3-9-19-15(16-8-7-11(2)20-16)10-12-13(17)5-4-6-14(12)18/h4-8,15,19H,3,9-10H2,1-2H3
InChIKeyJFFZVNYHXMMEAV-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.18
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 115830503) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID115830503
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC NameN-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)c1ccc(C)o1
InChIInChI=1S/C16H19Cl2NO/c1-3-9-19-15(16-8-7-11(2)20-16)10-12-13(17)5-4-6-14(12)18/h4-8,15,19H,3,9-10H2,1-2H3
InChIKeyJFFZVNYHXMMEAV-UHFFFAOYSA-N
XLogP5.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115830226
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 103481081
N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106693463
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 115830503) is N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)cccc1Cl)c1ccc(C)o1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is JFFZVNYHXMMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c1-3-9-19-15(16-8-7-11(2)20-16)10-12-13(17)5-4-6-14(12)18/h4-8,15,19H,3,9-10H2,1-2H3.
What are the key properties of N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115830503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).