N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine

C17H22ClNO — CID 63504146

IUPACN-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cc(C)oc1C
InChIInChI=1S/C17H22ClNO/c1-4-9-19-17(15-10-12(2)20-13(15)3)11-14-7-5-6-8-16(14)18/h5-8,10,17,19H,4,9,11H2,1-3H3
InChIKeyLPBSBZJIUYMCKN-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.83
Rot. Bonds6

About N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine

N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 63504146) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
PubChem CID63504146
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cc(C)oc1C
InChIInChI=1S/C17H22ClNO/c1-4-9-19-17(15-10-12(2)20-13(15)3)11-14-7-5-6-8-16(14)18/h5-8,10,17,19H,4,9,11H2,1-3H3
InChIKeyLPBSBZJIUYMCKN-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115863050
N-[2-(2,6-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115830226
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105051030
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
[2-(2,3-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 107312863
N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115839286
1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61065242
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine (CID 63504146) is N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is LPBSBZJIUYMCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-4-9-19-17(15-10-12(2)20-13(15)3)11-14-7-5-6-8-16(14)18/h5-8,10,17,19H,4,9,11H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63504146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).