N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

C16H19Cl2NO — CID 104806129

IUPACN-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1Cl)c1occc1C
InChIInChI=1S/C16H19Cl2NO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(17)10-14(12)18/h4-6,8,10,15,19H,3,7,9H2,1-2H3
InChIKeyXTIDCFMELIOXMD-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.18
Rot. Bonds6

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

N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 104806129) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID104806129
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC NameN-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1Cl)c1occc1C
InChIInChI=1S/C16H19Cl2NO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(17)10-14(12)18/h4-6,8,10,15,19H,3,7,9H2,1-2H3
InChIKeyXTIDCFMELIOXMD-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-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804658
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360582

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 104806129) is N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1Cl)c1occc1C.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is XTIDCFMELIOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(17)10-14(12)18/h4-6,8,10,15,19H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(2,4-dichlorophenyl)-1-(3-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-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104806129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).