N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine

C15H17Cl2NO — CID 106687887

IUPACN-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C15H17Cl2NO/c1-2-7-18-14(13-6-8-19-15(13)17)10-11-4-3-5-12(16)9-11/h3-6,8-9,14,18H,2,7,10H2,1H3
InChIKeyJGECFFCOCRRLKA-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.87
Rot. Bonds6

About N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine

N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine (PubChem CID 106687887) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
PubChem CID106687887
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC NameN-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C15H17Cl2NO/c1-2-7-18-14(13-6-8-19-15(13)17)10-11-4-3-5-12(16)9-11/h3-6,8-9,14,18H,2,7,10H2,1H3
InChIKeyJGECFFCOCRRLKA-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
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-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine (CID 106687887) is N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)c1ccoc1Cl.
What is the InChIKey of N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is JGECFFCOCRRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-2-7-18-14(13-6-8-19-15(13)17)10-11-4-3-5-12(16)9-11/h3-6,8-9,14,18H,2,7,10H2,1H3.
What are the key properties of N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 298.21 g/mol, XLogP of 4.87, 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-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106687887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).