N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine

C17H21ClFNO — CID 107892231

IUPACN-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)c1ccc(CC)o1
InChIInChI=1S/C17H21ClFNO/c1-3-9-20-16(17-8-6-13(4-2)21-17)11-12-5-7-14(18)15(19)10-12/h5-8,10,16,20H,3-4,9,11H2,1-2H3
InChIKeyGKYNDTHHZYFXLE-UHFFFAOYSA-N
MW309.81 g/mol
LogP4.92
Rot. Bonds7

About N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine

N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 107892231) has the molecular formula C17H21ClFNO and a molecular weight of 309.81 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
PubChem CID107892231
Molecular FormulaC17H21ClFNO
Molecular Weight309.81 g/mol
Exact Mass309.13
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)c1ccc(CC)o1
InChIInChI=1S/C17H21ClFNO/c1-3-9-20-16(17-8-6-13(4-2)21-17)11-12-5-7-14(18)15(19)10-12/h5-8,10,16,20H,3-4,9,11H2,1-2H3
InChIKeyGKYNDTHHZYFXLE-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 107891629
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
N-[2-(2-chloro-4-methylphenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 106867205
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
N-[2-(4-chloro-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107969557
N-[2-(4-chloro-3-fluorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 107892255
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 107892569
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
3-(4-chloro-3-fluorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 114013366
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine (CID 107892231) is N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(F)c1)c1ccc(CC)o1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is GKYNDTHHZYFXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNO/c1-3-9-20-16(17-8-6-13(4-2)21-17)11-12-5-7-14(18)15(19)10-12/h5-8,10,16,20H,3-4,9,11H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 309.81 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107892231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).